return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at QCISD /cc-pV(T+d)Z

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 D2 Deuterium diatomic 1ΣgD∞h
5 H2 Hydrogen diatomic 1ΣgD∞h
6 H2- hydrogen diatomic anion 2Σu+D∞h
7 HD Deuterium hydride 1ΣgD∞h
8 He Helium atom 1SKh
9 He2+ helium diatomic cation 2ΣuD∞h
10 Li Lithium atom 2SKh
11 Na Sodium atom 2SKh
12 LiH Lithium Hydride 1ΣC∞v
13 LiH- lithium hydride anion 2ΣC∞v
14 LiH+ lithium hydride cation 2ΣC∞v
15 NaH sodium hydride 1ΣC∞v
16 NaH- sodium hydride anion 2ΣC∞v
17 NaH+ sodium hydride cation 2ΣC∞v
18 Be Beryllium atom 1SKh
19 Mg Magnesium atom 1SKh
20 BeH beryllium monohydride 2ΣC∞v
21 BeH- berylium monohydride anion 1ΣC∞v
22 BeH+ beryllium monohydride cation 1ΣC∞v
23 MgH magnesium monohydride 2ΣC∞v
24 MgH- magnesium monohydride anion 1ΣC∞v
25 MgH+ magnesium monohydride cation 1ΣC∞v
26 BeH2 beryllium dihydride 1ΣgD∞h
27 MgH2 magnesium dihydride 1ΣgD∞h
28 B Boron atom 2PKh
29 BH Boron monohydride 1ΣC∞v
30 BH- boron monohydride anion 2ΠC∞v
31 BH+ boron monohydride cation 2ΣC∞v
32 AlH aluminum monohydride 1ΣC∞v
33 BH2 boron dihydride 2A1C2v
34 BH3 boron trihydride 1A1'D3h
35 AlH3 aluminum trihydride 1A1'D3h
36 C Carbon atom 3P0Kh
37 Si Silicon atom 3PKh
38 CH Methylidyne 2Π1/2C∞v
39 CH- methylidyne anion 3ΣC∞v
40 CH+ Methylidyne cation 1ΣC∞v
41 SiH Silylidyne 2ΠC∞v
42 CH2 Methylene 3B1C2v
43 CH2 Methylene 1A1C2v
44 CH2- methylene anion 2B1C2v
45 CH2+ methylene cation 2A1C2v
46 SiH2 silicon dihydride 1A1C2v
47 SiH2 silicon dihydride 3B1C2v
48 CH3 Methyl radical 2A1D3h
49 CH3- methyl anion 1A1C3v
50 SiH3 Silyl radical 2A1C3v
51 CH4 Methane 1A1Td
52 SiH4 Silane 1A1Td
53 P Phosphorus atom 4SKh
54 NH Imidogen 3Σ-C∞v
55 NH Imidogen 1Σ+C∞v
56 NH- Imidogen anion 2ΠC∞v
57 NH+ imidogen cation 2ΠC∞v
58 PH phosphorus monohydride 3Σ-C∞v
59 PH phosphorus monohydride 1ΔC∞v
60 ND2 Amidogen-d2 2B1C2v
61 NH2 Amino radical 2B1C2v
62 NH2- amino anion 1A1C2v
63 ND3 Ammonia-d3 1A1C3v
64 NH3 Ammonia 1A1C3v
65 PH3 Phosphine 1A1C3v
66 PH4+ phosphonium cation   
67 O Oxygen atom 3SKh
68 S Sulfur atom 3PKh
69 DO Hydroxyl-d 2ΠC∞v
70 OH Hydroxyl radical 2ΠC∞v
71 OH- hydroxide anion 1ΣC∞v
72 OH+ hydoxyl cation 3ΣC∞v
73 OH+ hydoxyl cation 1ΣC∞v
74 DS Mercapto-d 2ΠC∞v
75 HS Mercapto radical 2ΠC∞v
76 D2O Deuterium oxide 1A1C2v
77 H2O Water 1A1C2v
78 H2O- water anion 2A1C2v
79 H2O+ water cation 2B1C2v
80 HDO Water-d1 1A1C2v
81 D2S Hydrogen sulfide-d2 1A1C2v
82 H2S Hydrogen sulfide 1A1C2v
83 H2S+ Hydrogen sulfide cation 2B1C2v
84 H3O+ hydronium cation 1A1C3v
85 H3S+ Sulfonium cation 1A1C3v
86 F Fluorine atom 2PKh
87 Cl Chlorine atom 2PKh
88 DF Hydrofluoric acid-d 1ΣC∞v
89 HF Hydrogen fluoride 1ΣC∞v
90 HF- hydrogen fluoride anion 2ΣC∞v
91 HF+ hydrogen fluoride cation 2ΠC∞v
92 HCl Hydrogen chloride 1ΣC∞v
93 HCl+ hydrogen chloride cation 2ΠC∞v
94 H2Cl+ dihydrogen monochloride cation 1A1C2v
95 Ne Neon atom 1SKh
96 NeH+ neon hydrogen cation 1ΣC∞v
97 Li2 Lithium diatomic 1ΣgD∞v
98 Li2- lithium diatomic anion 2ΣuD∞h
99 Li2+ lithium diatomic cation 2ΣgD∞h
100 NaLi lithium sodium 1ΣC∞v
101 NaLi- lithium sodium anion 2ΣC∞v
102 NaLi+ lithium sodium cation 2ΣC∞v
103 Na2 Sodium diatomic 1ΣgD∞h
104 Na2- sodium diatomic anion 2ΣuD∞h
105 Na2+ sodium diatomic cation 2ΣgD∞h
106 Be2- Beryllium diatomic anion 2ΠuD∞h
107 Be2+ Beryllium diatomic cation 2ΣuD∞h
108 Mg2 Magnesium diatomic 1ΣgD∞h
109 Mg2- magnesium diatomic anion 2ΠUD∞h
110 Mg2+ magnesium diatomic cation 2ΣuD∞h
111 B2 Boron diatomic 3ΣgD∞h
112 B2 Boron diatomic 5ΣuD∞h
113 B2- Boron diatomic anion 4ΣgD∞h
114 BAl Boron Aluminum 3ΣC∞v
115 B2H6 Diborane 1AgD2h
116 BC- boron monocarbide anion 3ΠuC∞v
117 BC- boron monocarbide anion 1Σg+C∞v
118 BC+ boron monocarbide cation 1ΣC∞v
119 AlC Aluminum carbide 4ΣC∞v
120 C2 Carbon diatomic 1Σg+D∞h
121 C2 Carbon diatomic 3ΠuD∞h
122 C2- carbon diatomic anion 2ΣgD∞h
123 C2+ carbon diatomic cation 2ΠD∞h
124 SiC silicon monocarbide 3ΣC∞v
125 SiC silicon monocarbide 1ΣC∞v
126 Si2 Silicon diatomic 3ΣgD∞h
127 C2H Ethynyl radical 2ΣC∞v
128 C2H2 Acetylene 1ΣgD∞h
129 C2H2+ acetylene cation 2ΠuD∞h
130 CCH2 vinylidene 1A1C2v
131 C2H3 vinyl 2A'Cs
132 C2H4 Ethylene 1AgD2h
133 C2H5 Ethyl radical 2A'Cs
134 Si2H6 disilane 1EuD3d
135 BeN- Beryllium mononitride anion 1ΣC∞v
136 BN- boron nitride anion 2ΣC∞v
137 BN boron nitride 3ΠC∞v
138 BN boron nitride 1ΣC∞v
139 BN+ boron nitride cation 2ΠC∞v
140 AlN Aluminum nitride 3ΠiC∞v
141 CN Cyano radical 2ΣC∞v
142 CN- cyanide anion 1ΣC∞v
143 CN+ Cyano cation 1ΣC∞v
144 CP Carbon monophosphide 2ΣC∞v
145 SiN Silicon nitride 2ΣC∞v
146 SiP Silicon monophosphide 2ΠC∞v
147 N2 Nitrogen diatomic 1ΣgD∞h
148 N2- nitrogen diatomic anion 2ΠgD∞h
149 N2+ diatomic nitrogen cation 2ΣgD∞h
150 PN Phosphorus mononitride 1ΣC∞v
151 P2 Phosphorus diatomic 1ΣgD∞h
152 HNC hydrogen isocyanide 1ΣC∞v
153 HCN Hydrogen cyanide 1ΣC∞v
154 HCN+ hydrogen cyanide cation 2ΠC∞v
155 NNH Dinitrogen monohydride 2A'Cs
156 N2H2 (E)-diazene 1AgC2h
157 CH2PH Phosphaethene 1A'Cs
158 CH2NH2+ methyleneamine cation 1A1C2v
159 CH3NH2 methyl amine 1A'Cs
160 BH3PH3 borane phosphine   
161 LiO lithium oxide 2ΣC∞v
162 LiO+ lithium oxide cation 3ΣC∞v
163 LiO+ lithium oxide cation 1ΣC∞v
164 LiS Lithium monosulfide 2ΠC∞v
165 NaO sodium monoxide 2ΣC∞v
166 NaO+ sodium oxide cation 3ΣC∞v
167 BeO beryllium oxide 1ΣC∞v
168 BeO- Beryllium monoxide anion 2ΣC∞v
169 BeO+ Beryllium monoxide cation 2ΠC∞v
170 BeS beryllium sulfide 1ΣC∞v
171 MgO magnesium oxide 1Σ+C∞v
172 MgO+ magnesium oxide cation 2ΠC∞v
173 MgS magnesium sulfide 1ΣC∞v
174 CaS Calcium sulfide 1ΣC∞v
175 BO boron monoxide 2ΣC∞v
176 BO- boron monoxide anion 1ΣC∞v
177 AlO Aluminum monoxide 2ΣC∞v
178 BS boron sulfide 2ΣC∞v
179 AlS Aluminum sulfide 2ΣC∞v
180 BO+ boron monoxide cation 1ΣC∞v
181 CO Carbon monoxide 1ΣC∞v
182 CO- carbon monoxide anion 2ΠC∞v
183 CO+ carbon monoxide cation 2ΣC∞v
184 CS carbon monosulfide 1ΣC∞v
185 SiO Silicon monoxide 1ΣC∞v
186 SiS silicon monosulfide 1ΣC∞v
187 GeO Germanium monoxide 1ΣC∞v
188 SiSe Silicon Monoselenide   
189 NO Nitric oxide 2ΠC∞v
190 NO- nitric oxide anion 3ΣC∞v
191 NO- nitric oxide anion 1ΔC∞v
192 NO+ nitric oxide cation 1ΣC∞v
193 PO Phosphorus monoxide 2ΠC∞v
194 PS phosphorus sulfide 2ΣC∞v
195 O2 Oxygen diatomic 3ΣgD∞h
196 O2- oxygen diatomic anion 2ΠD∞h
197 O2+ diatomic oxygen cation 2ΠgD∞h
198 SO Sulfur monoxide 3ΣC∞v
199 SO Sulfur monoxide 1ΣC∞v
200 S2 Sulfur diatomic 3ΣgD∞h
201 S2+ sulfur diatomic cation 2ΠD∞h
202 Se2 Selenium diatomic 3ΣgD∞h
203 LiOH lithium hydroxide 1ΣC∞v
204 NaOH sodium hydroxide 1ΣC∞v
205 BeOH beryllium monohydroxide 2A'Cs
206 MgOH magnesium hydroxide 2A'Cs
207 HCO Formyl radical 2A'Cs
208 HNO Nitrosyl hydride 1A'Cs
209 HO2 Hydroperoxy radical 2A"Cs
210 HSO+ Sulfur Monoxide, S-protonated   
211 SOH Sulfur Hydroxide   
212 SOH+ Sulfur Monoxide, protonated   
213 H2CO Formaldehyde 1A1C2v
214 H2CO+ formaldehyde cation 2B2C2v
215 H2CS Thioformaldehyde 1A1C2v
216 H2CSe Selenoformaldehyde   
217 H2O2 Hydrogen peroxide 1AC2
218 H2S2 Disulfane 1AC2
219 H2S2+ hydrogen disulfide cation 2BgC2h
220 CH2OH+ hydroxymethyl cation 1A'Cs
221 H2CSH+ Thioformaldehyde, protonated 1A'Cs
222 NH2OH hydroxylamine 1A'Cs
223 H2POH Phosphinous acid 1A1'CS trans
224 H2POH Phosphinous acid 1A1'CS cis
225 H3PO Phosphine oxide 1A1C3v
226 CH3OH Methyl alcohol 1A'Cs
227 CH3SH Methanethiol 1A'Cs
228 CH3SH2+ protonated methylsulfide 1A'Cs
229 LiF lithium fluoride 1ΣC∞v
230 LiCl lithium chloride 1ΣC∞v
231 NaF sodium fluoride 1ΣC∞v
232 NaF- sodium fluoride anion 2ΣC∞v
233 NaF+ sodium fluoride cation 2ΣC∞v
234 LiF- lithium fluoride anion 2ΣC∞v
235 LiF+ lithium fluoride cation 2ΠC∞v
236 BeF Beryllium monofluoride 2ΣC∞v
237 BeF- Beryllium monofluoride anion 1ΣC∞v
238 BeF+ Beryllium monofluoride cation 1ΣC∞v
239 MgF Magnesium monofluoride 2ΣC∞v
240 MgF- magnesium fluoride anion 1ΣC∞v
241 MgF+ magnesium fluoride cation 1ΣC∞v
242 BF Boron monofluoride 1ΣC∞v
243 BF- Boron monofluoride anion 2ΠC∞v
244 BF+ Boron monofluoride cation 2ΣC∞v
245 AlF Aluminum monofluoride 1Σ+C∞v
246 BCl boron monochloride 1ΣC∞v
247 AlCl Aluminum monochloride 1ΣC∞v
248 CF Fluoromethylidyne 2ΠC∞v
249 CF- carbon monofluoride anion 3ΣC∞v
250 CF- carbon monofluoride anion 1ΣC∞v
251 CF+ carbon monofluoride cation 1ΣC∞v
252 SiF silicon monofluoride 2ΠC∞v
253 SiF+ silicon monofluoride cation 1ΣC∞v
254 SiCl Clorosilylidyne 2ΠC∞v
255 NF nitrogen fluoride 3ΣC∞v
256 NF nitrogen fluoride 1ΣC∞v
257 NF- nitrogen monofluorine anion 2ΠC∞v
258 NF+ nitrogen monofluoirde cation 2ΠC∞v
259 NCl nitrogen monochloride 3ΣC∞v
260 PF phosphorus monofluoride 3ΣC∞v
261 FO Oxygen monofluoride 2ΠC∞v
262 FO- flourine oxide anion 1ΣC∞v
263 FO+ fluorine monoxide cation 3ΣC∞v
264 ClO Monochlorine monoxide 2ΠC∞v
265 SF Monosulfur monofluoride 2ΠC∞v
266 SF+ sulfur monofluoride cation 3ΣC∞v
267 SCl sulfur monochloride 2ΠC∞v
268 SCl+ sulfur monochloride cation 3ΣgC∞v
269 SBr Sulfur monobromide radical   
270 F2 Fluorine diatomic 1ΣgD∞h
271 F2- flourine diatomic anion 2ΣuD∞h
272 F2+ flourine diatomic cation 2ΠgD∞h
273 ClF Chlorine monofluoride 1Σ+C∞v
274 Cl2 Chlorine diatomic 1ΣgD∞h
275 Cl2- chlorine diatomic anion 2ΣuD∞h
276 Cl2+ chlorine diatomic cation 2ΠgD∞h
277 HOF Hypofluorous acid 1A'Cs
278 HOCl hypochlorous acid 1A'Cs
279 CH2Cl chloromethyl radical 2A'Cs
280 CH3Cl Methyl chloride 1A1C3v
281 SiH3Cl chlorosilane 1A1C1
282 C3 carbon trimer 1ΣgD∞h
283 CH2CCH2 allene 1A1D2d
284 CH2CHCH3 Propene 1A'Cs
285 Si3H8 trisilane   
286 HN3 hydrogen azide 1A'Cs
287 CH2NN diazomethane 1A1C2v
288 CH3NC methyl isocyanide 1A1C3v
289 NHCHNH2 aminomethanimine 1AC1
290 Li2O dilithium oxide 1ΣgD∞h
291 Li2S dilithium sulfide 1ΣGD∞h
292 Li2S dilithium sulfide 1A1C2v
293 N2O Nitrous oxide 1ΣC∞v
294 NNS Nitrogen sulfide 1ΣC∞v
295 CO2 Carbon dioxide 1ΣgD∞h
296 OCS Carbonyl sulfide 1ΣC∞v
297 CS2 Carbon disulfide 1ΣgD∞h
298 SiS2 Silicon disulfide 1ΣGD∞h
299 NO2 Nitrogen dioxide 2A1C2v
300 NSO sulfinyl amidogen   
301 SNO Nitrogen oxide sulfide   
302 O3 Ozone 1A1Cs
303 SO2 Sulfur dioxide 1A1C2v
304 S3 Sulfur trimer 1A1C2v
305 S3 Sulfur trimer   
306 S3- Sulfur trimer anion 2B1C2v
307 S3+ Sulfur trimer cation 2B2C2v
308 HCCO ketenyl radical 2A"Cs
309 HCNO fulminic acid 1ΣC∞v
310 HNCO Isocyanic acid 1A'Cs
311 HOCN cyanic acid 1A'Cs
312 HOCO Hydrocarboxyl radical 1A'cis
313 HOCO Hydrocarboxyl radical 1A'trans
314 HNO2 Nitrous acid 1A'Cs
315 HCCOH ethynol 1A'Cs
316 CH2CS Thioketene   
317 CH2O2 Dioxirane 1A1C2v
318 HCOOH Formic acid 1A'Cs
319 HSSSH trisulfane 1AC2
320 HSSSH trisulfane 1A'Cs
321 CH2CHOH ethenol 1A'Cs
322 C2H4S Thiirane 1A1C2v
323 CH3CHS Thioacetaldehyde 1A'C1
324 CH3SSH Hydrogen methyl disulfide   
325 CH3CH2SH ethanethiol 1A'Cs
326 FCN Cyanogen fluoride 1ΣC∞v
327 ClCN chlorocyanogen 1ΣC∞v
328 FNO Nitrosyl fluoride 1A'Cs
329 FNS Thionitrosyl fluoride 1A'Cs
330 FSN Thiazyl fluoride 1A'Cs
331 OPCl Phosphorus oxychloride   
332 CF2 Difluoromethylene 1A1D∞h
333 GeCl2 Germanium dichloride 1A1C2v
334 FOO Dioxygen monofluoride radical 2A"Cs
335 OClO Chlorine dioxide 2B1D∞h
336 ClSO Sulfur chloride oxide 2A"Cs
337 FClO chlorosyl fluoride 1A'Cs
338 F2O Difluorine monoxide 1A1C2v
339 ClOF Chlorine hypofluorite 1A'Cs
340 SF2 sulfur difluoride 1A1C2v
341 SCl2 Sulfur dichloride 1A1C2v
342 SeCl2 Selenium Dichloride   
343 SBr2 Sulfur dibromide   
344 SeBr2 Selenium dibromide   
345 HCCF Fluoroacetylene 1ΣC∞v
346 HFCO formyl fluoride 1A'Cs
347 CH2F2 Methane, difluoro- 1A1C2v
348 SiH2Cl2 dichlorosilane 1A1C2v
349 C2H5F fluoroethane 1A'Cs
350 C4 Carbon tetramer 3ΣgD∞h
351 HCCCN Cyanoacetylene 1ΣC∞v
352 S2N2 Disulfur dinitride 1AGD2h
353 CS3-- Carbonotrithioate   
354 NO3 Nitrogen trioxide 2A1'all bonds equal
355 SO3 Sulfur trioxide 1A1'D3h
356 S4 Sulfur tetramer   
357 S4 Sulfur tetramer   
358 S4 Sulfur tetramer   
359 H3AlO3 Aluminum hydroxide   
360 CH2CHCHO Acrolein 1A'Cs
361 CHOCH2OH hydroxy acetaldehyde 1A'CS H in
362 CH3CSNH2 Ethanethioamide   
363 C3H7OH 1-Propanol 1A'Cs
364 C2F2 difluoroacetylene 1ΣgD∞h
365 CF2O Carbonic difluoride 1A1C2v
366 Cl2CS Thiophosgene 1A1C2v
367 BF3 Borane, trifluoro- 1A'D3h
368 AlF3 Aluminum trifluoride 1A1'D3h
369 ClO2F Chloryl fluoride 1A'Cs
370 F2SO Thionyl Fluoride 1A'Cs
371 FSSF Difluorodisulfane 1AC2
372 S2F2 Thio-thionyl fluoride 1A'Cs
373 SSCl2 Thiothionyl chloride   
374 SF3 Sulfur trifluoride 2A'Cs
375 ClF3 Chlorine trifluoride 1A1'D3h
376 ClF3 Chlorine trifluoride 1A1C2v
377 HClO3 Chloric Acid 1AC1
378 C2H2F2 Ethene, 1,2-difluoro-, (E)- 1AgC2h
379 C2H2F2 Ethene, 1,2-difluoro-, (Z)- 1A1C2v
380 C5H5- cylopentadienyl anion 1A1'D5h
381 N2O3 Dinitrogen trioxide 1A'Cs
382 H2SO4 Sulfuric acid 1AC1
383 C2H6O2S Dimethyl sulfone 1A1C2v
384 CF2Cl2 difluorodichloromethane 1A1C2v
385 SF4 Sulfur tetrafluoride 1A1C2v
386 C2HF3 Trifluoroethylene 1A'Cs
387 HClO4 perchloric acid 1ACs
388 SiH3CCl3 (trichloromethyl)silane 1A1C3v
389 C6H5 phenyl 2A1C2v
390 C6H6 Fulvene 1A1C2v
391 B2Cl4 Diboron tetrachloride 1A1D2
392 SiF5- silicon pentafluoride anion   
393 SOF4 Sulfur tetrafluoride oxide 1A1C2v
394 PF5 Phosphorus pentafluoride 1A1'D3h
395 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro-   
396 PF6- Hexafluorophosphate ion 1A1GOh
397 SF5Cl sulfur chloropentafluoride 1A1C4v
398 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- 1AGD2h

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 H2+ Hydrogen cation h2+  
5 H3+ hydrogen trimer cation h3+  
6 He- Helium atom anion he-  
7 He+ Helium atom cation he+  
8 HeH Helium hydride heh  
9 Li- Lithium atom anion li-  
10 Li+ Lithium atom cation li+  
11 Na- Sodium atom anion na-  
12 Na+ Sodium atom cation na+  
13 K Potassium atom k  
14 K- Potassium atom anion k-  
15 K+ Potassium atom cation k+  
16 Cu Copper atom cu  
17 Cu- Copper atom anion cu-  
18 Cu+ Copper atom cation cu+  
19 KH Potassium hydride kh  
20 KH+ Potassium hydrogen cation kh+  
21 CuH Copper monohydride cuh  
22 Be- Beryllium atom anion be-  
23 Be+ Beryllium atom cation be+  
24 Mg- Magnesium atom anion mg-  
25 Mg+ Magnesium atom cation mg+  
26 Ca Calcium atom ca  
27 Ca- Calcium atom anion ca-  
28 Ca+ Calcium atom cation ca+  
29 Zn Zinc atom zn  
30 Zn- Zinc atom anion zn-  
31 Zn+ Zinc atom cation zn+  
32 CaH Calcium monohydride cah  
33 CaH+ Calcium monohydride cation cah+  
34 TiH Titanium monohydride tih  
35 ZnH Zinc monohydride znh  
36 ZnH+ Zinc, protonated znh+  
37 BeH2+ Beryllium dihydride cation beh2+  
38 CaH2 Calcium Hydride cah2  
39 ZnH2 Zinc hydride znh2  
40 B- Boron atom anion b-  
41 B+ Boron atom cation b+  
42 Al Aluminum atom al  
43 Al- Aluminum atom anion al-  
44 Al+ Aluminum atom cation al+  
45 Sc Scandium atom sc  
46 Sc+ Scandium cation sc+  
47 Ga Gallium atom ga  
48 Ga- Gallium atom anion ga-  
49 Ga+ Gallium atom cation ga+  
50 AlH- aluminum monohydride anion alh-  
51 AlH+ aluminum monohydride cation alh+  
52 ScH Scandium monohydride sch  
53 ScH+ Scandium monohydride cation sch+  
54 GaH Gallium monohydride gah  
55 GaH+ Gallium monohydride cation gah+  
56 BH2- boron dihydride anion bh2-  
57 BH2+ Boron dihydride cation bh2+  
58 AlH2 aluminum dihydride alh2  
59 AlH2- aluminum dihydride anion alh2-  
60 AlH2+ aluminum dihydride cation alh2+  
61 BH3- boron trihydride anion bh3-  
62 AlH3- aluminum trihydride anion alh3-  
63 AlH3+ aluminum trihydride cation alh3+  
64 ScH3 Scandium trihydride sch3  
65 GaH3 Gallium trihydride gah3  
66 BH4 borohydride bh4  
67 BH4- borohydride anion bh4-  
68 AlH4- Aluminum tetrahydride anion alh4-  
69 C- Carbon atom anion c-  
70 C+ Carbon atom cation c+  
71 Si- Silicon atom anion si-  
72 Si+ Silicon atom cation si+  
73 Ti Titanium atom ti  
74 Ti- Titanium atom anion ti-  
75 Ti+ Titanium atom cation ti+  
76 Ge Germanium atom ge  
77 Ge- Germanium anion ge-  
78 Ge+ Germanium cation ge+  
79 Sn Tin atom sn  
80 Sn+ Tin cation sn+  
81 SiH- silicon monohydride anion sih-  
82 SiH+ silicon monohydride cation sih+  
83 GeH germylidene geh  
84 GeH+ Germaniun monohyrdide cation geh+  
85 SiH2- silicon dihydride anion sih2-  
86 SiH2+ silicon dihydride cation sih2+  
87 GeH2 germylene geh2  
88 GeH2- germylene anion geh2-  
89 CH3+ methyl cation ch3+  
90 SiH3- Silyl anion sih3-  
91 SiH3+ Silyl cation sih3+  
92 GeH3 Germyl radical geh3  
93 GeH3+ germyl cation geh3+  
94 CD4 methane-d4 cd4  
95 CH2D2 methane-d2 ch2d2  
96 CH3D methane-d ch3d  
97 CH4- Methane anion ch4-  
98 CHD3 methane-d3 chd3  
99 SiH2D2 silane-d2 sih2d2  
100 SiH4+ Silane cation sih4+  
101 GeH4 Germane geh4  
102 SnH4 Stannane snh4  
103 SiH5+ Silane, protonated sih5+  
104 N Nitrogen atom n  
105 N- Nitrogen atom anion n-  
106 N+ Nitrogen atom cation n+  
107 P- Phosphorus atom anion p-  
108 P+ Phosphorus atom cation p+  
109 V Vanadium atom v  
110 V+ Vanadium atom cation v+  
111 As Arsenic atomic as  
112 As- Arsenic anion as-  
113 As+ Arsenic cation as+  
114 Sb Antimony atom sb  
115 PH- phosphorus monohydride anion ph-  
116 PH+ phosphorus monohydride cation ph+  
117 AsH Arsenic monohydride ash  
118 AsH+ Arsenic monohydride cation ash+  
119 SbH Antimony monohydride sbh  
120 NH2+ Amino cation nh2+  
121 PH2 Phosphino radical ph2  
122 PH2- Phosphino anion ph2-  
123 PH2+ Phosphino cation ph2+  
124 AsH2 Arsenic dihydride ash2  
125 AsH2+ Arsenic dihydride cation ash2+  
126 NH3- Ammonia anion nh3-  
127 NH3+ ammonia cation nh3+  
128 PH3+ Phosphine cation ph3+  
129 AsH3 Arsine ash3  
130 AsH3+ Arsine cation ash3+  
131 SbH3 Stibine sbh3  
132 AsH4+ Arsonium ash4+  
133 NH4 Ammonium radical nh4  
134 NH4+ ammonium cation nh4+  
135 PH4 Phosphoranyl radical ph4  
136 O- Oxygen atom anion o-  
137 O+ Oxygen atom cation o+  
138 S- Sulfur atom anion s-  
139 S+ Sulfur atom cation s+  
140 Cr Chromium atom cr  
141 Se Selenium atom se  
142 Se- Selenium atom anion se-  
143 Se+ Selenium atom cation se+  
144 Te Tellurium atom te  
145 Te+ Tellurium atom cation te+  
146 HS- mercapto anion sh-  
147 HS+ sulfur monohydride cation sh+  
148 CrH Chromium hydride crh  
149 CrH+ Chromium hydride cation crh+  
150 HSe Selenium monohydride hse  
151 HSe- selenium monohydride anion hse-  
152 HSe+ selenium monohydride cation hse+  
153 TeH Telluryl radical teh  
154 H2S- Hydrogen sulfide anion h2s-  
155 H2Se Hydrogen selenide h2se  
156 H2Se+ Hydrogen selenide cation h2se+  
157 H2Te Hydrogen Telluride h2te  
158 H3Se+ Hydrogen Selenide, protonated h3se+  
159 F- Fluorine atom anion f-  
160 F+ Fluorine atom cation f+  
161 Cl- Chlorine atom anion cl-  
162 Cl+ Chlorine atom cation cl+  
163 Mn Manganese atom mn  
164 Br Bromine atom br  
165 Br- Bromine atom anion br-  
166 Br+ Bromine atom cation br+  
167 I Iodine atom iodine  
168 I- Iodine atom anion iodine-  
169 I+ Iodine atom cation iodine+  
170 DCl Hydrochloric acid-d dcl  
171 HCl- hydrogen chloride anion hcl-  
172 HBr hydrogen bromide hbr  
173 HBr- hydrogen bromide anion hbr-  
174 HBr+ hydrogen bromide cation hbr+  
175 HI Hydrogen iodide hi  
176 HI+ Hydrogen iodide cation hi+  
177 H2F+ dihydrogen fluoride cation h2f+  
178 H2Br+ protonated hydrogen bromide h2br+  
179 H2I+ Iodonium h2i+  
180 Ne- Neon atom anion ne-  
181 Ne+ Neon atom cation ne+  
182 Ar Argon atom ar  
183 Ar- Argon atom anion ar-  
184 Ar+ Argon atom cation ar+  
185 Fe Iron atom fe  
186 Kr Krypton atom kr  
187 Kr+ Krypton cation kr+  
188 Xe Xenon atom xe  
189 HeLi+ Helium Lithium cation heli+  
190 NeH neon hydrogen neh  
191 ArH+ Argon hydride cation arh+  
192 KrH+ Protonated Krypton krh+  
193 XeH+ Xenon, protonated xeh+  
194 H2Ar H2 Ar dimer h2ar  
195 Co Cobalt atom cobalt  
196 Ni Nickel atom ni  
197 LiK Lithium Potassium lik  
198 NaK Sodium Potassium nak  
199 NaK+ Sodium Potassium diatomic cation nak+  
200 K2 Potassium diatomic k2  
201 Cu2 Copper diatomic cu2  
202 LiBe Lithium Beryllium libe  
203 LiMg Lithium magnesium limg  
204 NaBe Sodium Beryllium nabe  
205 NaMg Sodium Magnesium namg  
206 Be2 Beryllium diatomic be2  
207 BeMg Beryllium Magnesium bemg  
208 Ca2 Calcium diatomic ca2  
209 LiB Lithium boride lib  
210 LiAl Lithium Aluminum lial  
211 NaAl Sodium aluminum naal  
212 BeB Beryllium monoboride beb  
213 B2+ Boron diatomic cation b2+  
214 Al2 Aluminum diatomic al2  
215 Al2- aluminum diatomic anion al2-  
216 Al2+ aluminum diatomic cation al2+  
217 BGa Boron Gallium bga  
218 AlGa Aluminum Gallium alga  
219 Ga2 Gallium diatomic ga2  
220 HBBH Diborane(2) hbbh  
221 LiBH4 Lithium borohydride libh4  
222 B2H4 Diborane(4) D2d b2h4  
223 HBHHBH Diborane(4) C2V hbhhbh  
224 B2H6+ Diborane cation b2h6  
225 Al2H6 dialane al2h6  
226 Ga2H6 digallane ga2h6  
227 LiC Lithium Carbide lic  
228 BeC Beryllium Carbide bec  
229 CaC Calcium monocarbide cac  
230 BC boron monocarbide bc  
231 BC+ boron monocarbide cation bc+  
232 BSi Boron silicide bsi  
233 C2+ carbon diatomic cation c2+  
234 SiC- silicon monocarbide anion sic-  
235 SiC+ silicon monocarbide cation sic+  
236 Si2- silcon diatomic anion si2-  
237 Si2+ silcon diatomic cation si2+  
238 GeC Germanium monocarbide gec  
239 SiGe Silicon Germanium sige  
240 Ge2 Germanium diatomic ge2  
241 ZnCH2 Zinc methylene znch2  
242 H2CC- vinylidene anion h2cc-  
243 HCCH- acetylene anion c2h2-  
244 Si2H2 disilyne si2h2  
245 CH3Li methyl lithium ch3li  
246 CuCH3 monomethyl copper cuch3  
247 ZnCH3 Zinc monomethyl znch3  
248 CH2BH methyleneborane ch2bh  
249 C2H3- vinyl anion c2h3-  
250 C2H4- Ethylene anion c2h4-  
251 CH2SiH2 silaethylene ch2sih2  
252 Si2H4 Disilene si2h4  
253 CH3BH2 methylborane ch3bh2  
254 C2H5- Ethyl anion c2h5-  
255 C2H5+ Ethyl cation c2h5+  
256 C2H6 Ethane c2h6  
257 C2H6+ ethane cation c2h6+  
258 CH3SiH3 methyl silane ch3sih3  
259 GeH3CH3 methyl germane geh3ch3  
260 C2H7+ Ethane, protonated c2h7+  
261 LiP Lithium monophosphide lip  
262 BeN Beryllium mononitride ben  
263 BeN+ Beryllium mononitride cation ben+  
264 MgN Magnesium Nitride mgn  
265 AlN- aluminum mononitride anion aln-  
266 AlN+ aluminum mononitride cation aln+  
267 BP Boron monophosphide bp  
268 AlP Aluminum monophosphide alp  
269 GaN Gallium mononitride gan  
270 GaP Gallium monophosphide gap  
271 GaAs Gallium arsenide gaas  
272 CP- carbon monophosphide anion cp-  
273 CP+ carbon monophosphide cation cp+  
274 SiN- silicon mononitride anion sin-  
275 SiN+ silicon mononitride cation sin+  
276 SiP- Silicon monophosphide anion sip-  
277 SiP+ Silicon monophosphide cation sip+  
278 TiN Titanium mononitride tin  
279 PN- phosphorus nitride anion pn-  
280 PN+ phosphorus nitride cation pn+  
281 P2- phosphorus diatomic anion p2-  
282 P2+ phosphorus diatomic cation p2+  
283 AsN Arsenic mononitride asn  
284 AsP Arsenic monophosphide asp  
285 SbN Antimony nitride sbn  
286 As2 Arsenic diatomic as2  
287 HNB hydrogen nitrogen boron hnb  
288 HCN- Hydrogen cyanide anion hcn-  
289 HNC+ hydrogen isocyanide cation hnc+  
290 HCP Phosphaethyne hcp  
291 HCP+ Phosphaethyne cation hcp+  
292 NNH+ Dinitrogen monohydride cation nnh+  
293 HPO Hydrogen phosphorus oxide hpo  
294 HPO+ Hydrogen phosphorus oxide cation hpo+  
295 LiNH2 lithium amide linh2  
296 HBNH Boranimine hbnh  
297 CNH2 Aminomethylidyne radical cnh2  
298 CNH2+ N-protonated hydrogen isocyanide cnh2+  
299 H2CN Dihydrogen cyanide radical h2cn  
300 H2CN+ hydrocyanonium cation h2cn+  
301 HCNH methyleneazane hcnh  
302 HCNH+ N-protonated HCN hcnh+  
303 H2NN Isodiazene h2nn  
304 N2H2 (Z)-Diazene n2h2z  
305 N2H2+ trans-diazene cation n2h2+  
306 CH2NH Methanimine ch3n  
307 CH2NH+ Methanimine cation ch2nh+  
308 CHNH2 aminomethylene chnh2  
309 CHNH2+ Aminocarbene cation chnh2+  
310 BH2NH2 Boranamine bh2nh2  
311 N2H4 Hydrazine n2h4  
312 N2H4+ hydrazine cation n2h4+  
313 P2H4 Diphosphine p2h4  
314 CH3NH2+ methyl amine cation ch3nh2+  
315 CH3PH2 Methyl phosphine ch3ph2  
316 SiH3NH2 Silane, amino sih3nh2  
317 N2H5+ protonated hydrazine n2h5+  
318 BH3NH3 borane ammonia bh3nh3  
319 CH3NH3 methyl ammonium radical ch3nh3  
320 CH3PH3+ methyl phosphine, protonated ch3ph3+  
321 NH3NH3 Ammonia Dimer nh3nh3  
322 N2H7+ ammonia ammonium dimer n2h7+  
323 LiO- lithium oxide anion lio-  
324 LiS+ Lithium sulfide cation lis+  
325 NaO- sodium oxide anion nao-  
326 KO Potassium monoxide ko  
327 KO+ Potassium monoxide cation ko+  
328 NaS Sodium sulfide nas  
329 CuO Copper Monoxide cuo  
330 LiSe Lithium monoselenide lise  
331 MgO- magnesium oxide anion mgo-  
332 CaO Calcium monoxide cao  
333 MgS- magnesium sulfide anion mgs-  
334 MgS+ magnesium sulfide cation mgs+  
335 ZnO zinc monoxide zno  
336 ZnS Zinc sulfide zns  
337 BeS- Beryllium monosulfide anion bes-  
338 BeS+ Beryllium monosulfide cation bes+  
339 AlO- Aluminum monoxide anion alo-  
340 AlO+ aluminum monoxide cation alo+  
341 BS- boron monosulfide anion bs-  
342 BS+ boron monosulfide cation bs+  
343 AlS- aluminum monosulfide anion als-  
344 AlS+ aluminum monosulfide cation als+  
345 ScO Scandium monoxide sco  
346 GaO Gallium monoxide gao  
347 GaS Gallium monosulfide gas  
348 CS- carbon monosulfide anion cs-  
349 CS+ carbon monosulfide cation cs+  
350 SiO- silicon monoxide anion sio-  
351 SiO+ silicon monoxide cation sio+  
352 SiS- silicon monosulfide anion sis-  
353 SiS+ silicon monosulfide cation sis+  
354 TiO Titanium monoxide tio  
355 CSe Carbon monoselenide cse  
356 CSe- Carbon monoselenide anion cse-  
357 CSe+ Carbon monoselenide cation cse+  
358 GeO+ Germanium monoxide cation geo+  
359 GeS Germanium monosulfide ges  
360 SiSe+ Silicon Monoselenide cation sise+  
361 GeSe Germanium monoselenide gese  
362 NS Mononitrogen monosulfide ns  
363 NS- nitrogen sulfide anion ns-  
364 NS+ nitrogen sulfide cation ns+  
365 PO- phosphorus monoxide anion po-  
366 PO+ phosphorus monoxide cation po+  
367 PS- phosphorus monosulfide anion ps-  
368 PS+ phosphorus monosulfide cation ps+  
369 VO Vanadium monoxide vo  
370 AsO Arsenic monoxide aso  
371 NSe Nitrogen monoselenide nse  
372 AsS Arsenic monosulfide ass  
373 PSe Phosphorus monoselenide pse  
374 AsSe Arsenic monoselenide asse  
375 O2-- dioxygen dianion o2--  
376 SO- sulfur monoxide anion so-  
377 SO+ sulfur monoxide cation so+  
378 S2- sulfur diatomic anion s2-  
379 SeO Selenium monoxide seo  
380 SeO- selenium monoxide anion seo-  
381 SeO+ selenium monoxide cation seo+  
382 SeS Selenium monosulfide ses  
383 SeS- selenium monosulfide anion ses-  
384 SeS+ selenium monosulfide cation ses+  
385 TeO Tellurium monoxide teo  
386 Se2- selenium diatomic anion se2-  
387 Se2+ selenium diatomic cation se2+  
388 Te2 Tellurium diatomic te2  
389 KOH Potassium hydroxide koh  
390 CaOH Calcium monohydroxide caoh  
391 HBO Boron hydride oxide hbo  
392 HBS hydrogen boron sulfide hbs  
393 COH Hydroxymethylidyne coh  
394 COH+ Carbon Monoxide, protonated coh+  
395 HCO- formyl anion hco-  
396 HCS Thioformyl radical hcs  
397 HCS- Thioformyl anion hcs-  
398 HCS+ Thioformyl cation hcs+  
399 NOH Hydroxyimidogen noh  
400 NOH+ O-protonated nitric oxide noh+  
401 HNS Sulfur imide hns  
402 HNS- Sulfur imide anion hns-  
403 HO2+ Hydroperoxy cation ho2+  
404 HS2 Thiosulfeno radical hs2  
405 H2CO- formaldehyde anion h2co-  
406 HOCH hydroxycarbene hoch  
407 H2CS- thioformaldehyde anion h2cs-  
408 H2CS+ thioformaldehyde cation h2cs+  
409 H2NO nitroxide h2no  
410 H2O2+ Hydrogen peroxide cation h2o2+  
411 H2OO water oxide h2oo  
412 HOSH hydrogen thioperoxide hosh  
413 H2Se2 hydrogen diselenide h2se2  
414 CH2OH Hydroxymethyl radical ch2oh  
415 CH3O Methoxy radical ch3o  
416 CH3O- methoxy anion ch3o-  
417 CH3O+ Methoxy cation ch3o+  
418 CH3S thiomethoxy ch3s  
419 NH2OH+ Hydroxylamine cation nh2oh+  
420 NH3O Ammonia Oxide nh3o  
421 NH2SH Thiohydroxylamine nh2sh  
422 NH3S sulfidoazane nh3s  
423 H3O2+ hydrogen peroxide, protonated h3o2+  
424 CH3OH- Methyl alcohol anion ch3oh-  
425 CH3OH+ Methyl alcohol cation ch3oh+  
426 CH3SH+ Methanethiol cation ch3sh+  
427 SiH3OH silanol sih3oh  
428 CH3SeH Methane selenol ch3seh  
429 NH2OH2+ protonated hydroxylamine nh2oh2+  
430 NH3OH+ N-protonated hydroxylamine nh3oh+  
431 H2OH2O water dimer h2oh2o  
432 CH3OH2+ Methanol, protonated ch3oh2+  
433 H2ONH3 Water Ammonia Dimer h2onh3  
434 H5O2+ Dihydroxonium ion h5o2+  
435 LiCl- lithium chloride anion licl-  
436 LiCl+ lithium chloride cation licl+  
437 KF Potassium Fluoride kf  
438 NaCl Sodium Chloride nacl  
439 NaCl- sodium chloride anion nacl-  
440 NaCl+ sodium chloride cation nacl+  
441 KCl Potassium Chloride kcl  
442 CuF Copper monofluoride cuf  
443 LiBr Lithium Bromide libr  
444 LiBr- lithium bromide anion libr-  
445 LiBr+ lithium bromide cation libr+  
446 CuCl Copper monochloride cucl  
447 NaBr Sodium Bromide nabr  
448 NaBr- sodium bromide anion nabr-  
449 NaBr+ sodium bromide cation nabr+  
450 KBr Potassium Bromide kbr  
451 LiI Lithium Iodide lii  
452 NaI Sodium Iodide nai  
453 KI Potassium Iodide ki  
454 BeCl beryllium monochloride becl  
455 CaF Calcium monofluoride caf  
456 MgCl magnesium monochloride mgcl  
457 MgCl- magnesium monochloride anion mgcl-  
458 MgCl+ magnesium monochloride cation mgcl+  
459 CaCl calcium monochloride cacl  
460 TiCl Titanium Monochloride ticl  
461 ZnF Zinc monofluoride znf  
462 ZnF- Zinc monofluoride anion znf-  
463 ZnF+ Zinc monofluoride cation znf+  
464 ZnCl Zinc monochloride zncl  
465 CaBr Calcium monobromide cabr  
466 BeCl- beryllium monochloride anion becl-  
467 BeCl+ beryllium monochloride cation becl+  
468 AlF- Aluminum monofluoride anion alf-  
469 AlF+ Aluminum monofluoride cation alf+  
470 BCl- boron monochloride anion bcl-  
471 BCl+ boron monochloride cation bcl+  
472 AlCl- aluminum monochloride anion alcl-  
473 AlCl+ aluminum monochloride cation alcl+  
474 ScF Scandium monofluoride scf  
475 BBr Boron monobromide bbr  
476 GaF Gallium monofluoride gaf  
477 GaF+ Gallium monofluoride cation gaf+  
478 AlBr Aluminum monobromide albr  
479 GaCl Gallium monochloride gacl  
480 GaCl+ Gallium monochloride cation gacl+  
481 AlI Aluminum monoiodide ali  
482 GaBr Gallium monobromide gabr  
483 CCl carbon monochloride ccl  
484 CCl- carbon monochloride anion ccl-  
485 CCl+ carbon monochloride cation ccl+  
486 SiF- silicon monofluoride anion sif-  
487 SiCl- silicon monochloride anion sicl-  
488 SiCl+ silicon monochloride cation sicl+  
489 CBr Carbon monobromide cbr  
490 GeF Germanium monofluoride gef  
491 GeF+ Germanium monofluoride cation gef+  
492 GeCl Germanium monochloride gecl  
493 GeCl+ Germanium monochloride cation gecl+  
494 SiBr Silicon monobromide sibr  
495 SiBr+ Silicon monobromide cation sibr+  
496 NCl- nitrogen monochloride anion ncl-  
497 NCl+ nitrogen monochloride cation ncl+  
498 PF- phosphorus monofluoride anion pf-  
499 PF+ phosphorus monofluoride cation pf+  
500 PCl phosphorus chloride pcl  
501 PCl- phosphorus monochloride anion pcl-  
502 PCl+ phosphorus monochloride cation pcl+  
503 AsF Arsenic monofluoride asf  
504 NBr nitrogen monobromide nbr  
505 AsCl Arsenic monochloride ascl  
506 PBr Phosphorus monobromide pbr  
507 SbF Antimony monofluoride sbf  
508 SbCl Antimony monochloride sbcl  
509 ClO- chlorine monoxide anion clo-  
510 ClO+ chlorine monoxide cation clo+  
511 SF- sulfur monofluoride anion sf-  
512 SCl- sulfur monochloride anion scl-  
513 BrO Bromine monoxide bro  
514 BrO- Bromine monoxide anion bro-  
515 BrO+ Bromine monoxide cation bro+  
516 SeF Selenium monofluoride sef  
517 SBr+ Sulfur monobromide cation sbr+  
518 SeCl Selenium monochloride secl  
519 IO Iodine monoxide io  
520 SeBr Selenium monobromide sebr  
521 BrCl Bromine monochloride brcl  
522 ClF- clorine monofluoride anion clf-  
523 ClF+ clorine monofluoride cation clf+  
524 BrF Bromine monofluoride brf  
525 BrF- bromine fluoride anion brf-  
526 BrF+ bromine fluoride cation brf+  
527 BrCl- bromine chloride anion brcl-  
528 BrCl+ bromine chloride cation brcl+  
529 IF Iodine monofluoride if  
530 Br2 Bromine diatomic br2  
531 Br2- bromine diatomic anion br2-  
532 Br2+ bromine diatomic cation br2+  
533 ICl Iodine monochloride icl  
534 IBr Iodine monobromide ibr  
535 I2 Iodine diatomic i2  
536 I2+ Iodine diatomic cation i2+  
537 HCF Fluoromethylene hcf  
538 HCCl Chloromethylene hccl  
539 HSiF fluorosilylene hsif  
540 HSiCl Chlorosilylene hsicl  
541 HSiBr monobromosilylene hsibr  
542 CHBr bromomethylene chbr  
543 DOCl Hypochlorous acid-d docl  
544 HOCl+ hypochlorous acid cation hocl+  
545 HOBr Hypobromous acid hobr  
546 HOBr+ Hypobromous acid cation hobr+  
547 HOI Hypoiodous acid hoi  
548 F2H+ Fluorine, protonated f2h+  
549 FHF Hydrogen difluoride fhf  
550 FHF- Hydrogen difluoride anion fhf-  
551 ClFH+ Chlorine fluoride, F-protonated clfh+  
552 FClH+ Chlorine fluoride, Cl-protonated fclh+  
553 Cl2H+ Chlorine, protonated cl2h+  
554 CH2Br bromomethyl radical ch2br  
555 CH2F fluoromethyl radical ch2f  
556 CH2F+ fluoromethyl cation ch2f+  
557 CH2Cl+ chloromethyl cation ch2cl+  
558 NH2Cl chloramine nh2cl  
559 H2F2 Hydrogen fluoride dimer h2f2  
560 CH3F+ methyl fluoride cation ch3f+  
561 CD3F methylfluoride-d3 cd3f  
562 CH3F Methyl fluoride ch3f  
563 CD3Cl methyl chloride d3 cd3cl  
564 CH3Cl+ Methyl chloride cation ch3cl+  
565 SiH3F monofluorosilane sih3f  
566 CH3Br methyl bromide ch3br  
567 GeH3F monofluorogermane geh3f  
568 GeH3Cl monochlorogermane geh3cl  
569 SiH3Br bromosilane sih3br  
570 CH3I methyl iodide ch3i  
571 SiH3I Silyl Iodide sih3i  
572 NH3Cl+ protonated monochloroammonia nh3cl+  
573 CH3ClH+ methyl chloride, protonated ch3clh+  
574 NH4Cl Ammonium chloride nh4cl  
575 LiNe+ Lithium Neon cation line+  
576 Ne2 Neon diatomic ne2  
577 Ne2+ Neon diatomic cation ne2+  
578 Ar2 Argon diatomic ar2  
579 Ar2+ Argon diatomic cation ar2+  
580 Li3 Lithium trimer li3  
581 Li3+ Lithium trimer cation li3+  
582 SiC2 Silicon dicarbide sic2  
583 C3H3 cyclopropenyl radical cpr  
584 C3H3 Propargyl radical propargyl  
585 C3H3- Propargyl anion c3h3-  
586 C3H4 cyclopropene cprop  
587 CH3CCH propyne propyne  
588 C3H5 Allyl radical allyl  
589 C3H5+ Allyl cation allyl+  
590 CH3CHCH 1-propenyl radical ch3chch  
591 Zn(CH3)2 dimethyl zinc dmz  
592 C3H6 Cyclopropane c3h6  
593 C3H7 n-Propyl radical npropyl  
594 C3H7+ cyclopropane, protonated c3h7+  
595 CH3CHCH3 Isopropyl radical isopropyl  
596 CH3CHCH3+ Isopropyl cation prop2yl+  
597 C3H8 Propane propane  
598 SiH2(CH3)2 dimethylsilane dms  
599 LiCN lithium cyanide licn  
600 NaCN Sodium Cyanide nacn  
601 KCN Potassium cyanide kcn  
602 CuCN Copper cyanide cucn  
603 ZnCN Zinc monocyanide zncn  
604 ZnNC Zinc isocyanide znnc  
605 AlCN Aluminum monocyanide alcn  
606 AlNC Aluminum isocyanide alnc  
607 CN2 3H-Diazirin-3-ylidene cn2  
608 CNN Diazocarbene cnn  
609 NCN Cyanoimidogen ncn  
610 N3 azide radical n3  
611 N3- azide anion n3-  
612 N3+ azide cation n3+  
613 HCCN cyanomethylene hccn  
614 HCNN diazomethyl radical hcnn  
615 HN3+ Hydrazoic acid cation hn3+  
616 HNCNH diiminomethane hncnh  
617 CH2N2 diazirine ch2n2  
618 HNNNH+ 1,2-Triazadienium n2h3+  
619 NH2NN+ hydrazoic acid, protonated nh2nn+  
620 CH3CN Acetonitrile ch3cn  
621 CH3CN- acetonitrile anion ch3cn-  
622 CH3CN+ Acetonitrile cation ch3cn+  
623 CHNCH2 2H-Azirine c157164  
624 CHNHCH 1H-Azirine chnhch  
625 H2CCNH Ethenimine ch2cnh  
626 H2CNCH methyleneaminomethylene ch2nch  
627 HCCNH2 Ethynamine hccnh2  
628 HCNCH2+ 2H-Azirine cation hcnch2+  
629 HNCNH2+ diiminomethane, protonated hncnh2+  
630 NCNH3+ Cyanamide, protonated ncnh3+  
631 NH2CNH+ cyanamide, cn protonated nh2cnh+  
632 NH3CN+ cyanamide, amine protonated nh3cn+  
633 CH2CHNH vinylazine ch2chnh  
634 CH3CHN methylmethaniminyl radical ch3chn  
635 C2H5N Aziridine c2h5n  
636 CH2CHNH2 aminoethene aminoethene  
637 CH2NCH3 N-methylmethanimine nmm  
638 CH3CHNH ethanimine ethanimine  
639 NH2BHNH2 diaminoborane nh2bhnh2  
640 C2H5NH+ Protonated Aziridine c2h5nh+  
641 C2H6N+ aziridine, protonated c2h6n+  
642 NH2CH2NH2 diaminomethane nh2ch2nh2  
643 CH3CH2NH2 Ethylamine etam  
644 CH3NHCH3 Dimethylamine ch3nhch3  
645 CH3PHCH3 dimethylphosphine ch3phch3  
646 NH2CH2NH3+ diaminoethane, protonated pdam  
647 (CH3)2NH2+ dimethylammonium cation dmam  
648 CH3CH2NH3+ ethylamine, protonated pea  
649 Na2O disodium monoxide na2o  
650 Na2S Sodium sulfide na2s  
651 LiO2 Lithium dioxide lio2  
652 NaO2 Sodium superoxide nao2  
653 CCO Dicarbon monoxide cco  
654 CNO- fulminate cno-  
655 NCO isocyanato radical nco  
656 NCO- cyanate nco-  
657 SCN thiocyanato radical scn  
658 SCN- thiocyanide anion scn-  
659 BO2 Boron dioxide bo2  
660 BO2+ Boron dioxide cation bo2+  
661 N2O- Nitrous oxide anion n2o-  
662 PPO Phosphorus oxide phosphide ppo  
663 OCS+ Carbonyl sulfide cation cos+  
664 SiO2 silicon dioxide sio2  
665 CS2- Carbon disulfide anion cs2-  
666 CS2+ Carbon disulfide cation cs2+  
667 TiO2 Titanium dioxide tio2  
668 GeO2 Germanium dioxide geo2  
669 OCSe Carbonyl selenide ocse  
670 SCSe Carbon sulfide selenide scse  
671 GeS2 Germanium disulfide ges2  
672 CSe2 Carbon diselenide cse2  
673 SCTe Carbon sulfide Telluride scte  
674 PO2 Phosphorus dioxide po2  
675 PO2- Phosphorus dioxide anion po2-  
676 PO2+ Phosphorus dioxide cation po2+  
677 AsO2 Aresenic dioxide aso2  
678 SO2- Sulfur dioxide anion so2-  
679 SO2+ Sulfur dioxide cation so2+  
680 SSO Disulfur monoxide sso  
681 SeO2 Selenium dioxide seo2  
682 SeO2+ Selenium dioxide cation seo2+  
683 TeO2 Tellurium Dioxide teo2  
684 CS2H+ Carbon disulfide, protonated cs2h+  
685 HNCS Isothiocyanic acid hncs  
686 HSCN thiocyanic acid hscn  
687 HCO2- formate anion hco2-  
688 HNNO nitrosoazane hnno  
689 HNNO+ Nitrous oxide, N-protonated hnno+  
690 NNOH+ Nitrous Oxide, O-protonated nnoh+  
691 HCOO formate neutral radical hcoo  
692 O3H+ protonated ozone o3h+  
693 SO2H+ protonated sulfur dioxide so2h+  
694 C2H2O Oxirene oxirene  
695 CH2CO Ketene ch2co  
696 CH2CO+ Ketene cation ch2co+  
697 Be(OH)2 Beryllium hydroxide beo2h2  
698 Mg(OH)2 Magnesium dihydroxide h2mgo2  
699 NH2NO Nitrosamide nh2no  
700 H2COO Dioxymethyl radical h2coo  
701 H2COO+ dioxymethyl cation h2coo+  
702 H2O3 Hydrogen trioxide h2o3  
703 NaOCH3 Sodium methoxide naoch3  
704 CH2BOH hydroxy(methylene)borane ch2boh  
705 BH3CO Borane carbonyl bh3co  
706 CH3BO Borane, methyloxo- ch3bo  
707 CH2CHO Vinyloxy radical ch2cho  
708 CH2COH+ ketene, protonated ch2coh+  
709 CH3CO Acetyl radical ch3co  
710 CH3CO- Acetyl anion ch3co-  
711 CH3CO+ acetyl cation ch3co+  
712 CH2NOH formaldoxime ch2noh  
713 CH3NO nitrosomethane ch3no  
714 CHONH2 formamide formamide  
715 CNOH3 1,2-oxaziridine cnoh3  
716 HOCHNH hydroxymethylimine hochnh  
717 CHSNH2 thioformamide chsnh2  
718 NHCHSH Methanimidothioic acid nhchsh  
719 CH2OOH CH2OOH radical ch2ooh  
720 CH3OO methylperoxy radical ch3oo  
721 CH3OO- methylperoxy anion ch3oo-  
722 CH3OO+ methylperoxy cation ch3oo+  
723 C2H4O Ethylene oxide c2h4o  
724 C2H4O+ ethylene oxide cation c2h4o+  
725 CH3CHO Acetaldehyde ch3cho  
726 CH3CHO+ acetaldehyde cation ch3cho+  
727 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
728 CH2CHSH Ethenethiol ch2chsh  
729 H2CONH2+ protonated formamide h2conh2+  
730 NH2CHOH+ Formamide, O-protonated nh2choh+  
731 NH3CHO+ Formamide, N-Protonated nh3cho+  
732 CH2(OH)2 methanediol ch2o2h2  
733 CH3OOH Methyl peroxide ch3ooh  
734 HSCH2SH Methanedithiol ch4s2  
735 H2OH2CO water formaldehyde dimer h2oh2co  
736 C2H4OH+ ethylene oxide, protonated c2h4oh+  
737 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
738 CH3CH2O Ethoxy radical ethoxy  
739 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
740 CH3CHOH+ acetaldehyde, protonated ch3choh+  
741 CH3OCH2 methoxymethyl radical ch3och2  
742 NH2CH2OH aminomethanol nh2ch2oh  
743 CH3CH2OH Ethanol etoh  
744 CH3OCH3 Dimethyl ether meome  
745 CH3SCH3 Dimethyl sulfide mesme  
746 CH3SCH3+ dimethyl sulfide cation mesme+  
747 CH3SeCH3 dimethylselenide dmse  
748 CH3OHH2O methanol water dimer ch3ohh2o  
749 H2OCH3OH water methanol dimer h2och3oh  
750 CuF2 Copper difluoride cuf2  
751 ZnF2 Zinc difluoride znf2  
752 CNF iso cyanogen fluoride cnf  
753 BrCN Cyanogen bromide brcn  
754 ICN Cyanogen iodide icn  
755 FBO Boron monofluoride monoxide fbo  
756 BeF2 Beryllium fluoride bef2  
757 MgF2 Magnesium fluoride mgf2  
758 BeCl2 Beryllium chloride becl2  
759 MgCl2 Magnesium dichloride mgcl2  
760 CaCl2 Calcium Chloride cacl2  
761 ZnCl2 Zinc dichloride zncl2  
762 BeBr2 Beryllium bromide bebr2  
763 CaBr2 Calcium dibromide cabr2  
764 CaF2 Calcium difluoride caf2  
765 FCO Carbonyl fluoride fco  
766 FCO+ Carbonyl fluoride cation fco+  
767 ClCO carbonyl monochloride clco  
768 BF2 Boron difluoride radical bf2  
769 ClNO Nitrosyl chloride clno  
770 BrNO Nitrosyl bromide brno  
771 INO Nitrosyl iodide ino  
772 CFCl chlorofluoromethylene cfcl  
773 SiF2 Silicon difluoride sif2  
774 SiF2+ Silicon difluoride cation sif2+  
775 CCl2 dichloromethylene ccl2  
776 CCl2- dichloromethylene anion ccl2-  
777 CCl2+ dichloromethylene cation ccl2+  
778 SiCl2 Dichlorosilylene sicl2  
779 GeF2 Germanium difluoride gef2  
780 CBr2 dibromomethylene cbr2  
781 FOO+ Fluorine dioxide cation foo+  
782 ClOO chloroperoxy radical cloo  
783 ClOO+ chloroperoxy cation cloo+  
784 OClO- Chlorine dioxide anion oclo-  
785 OClO+ Chlorine dioxide cation oclo+  
786 ClS2 Sulfur chloride cls2  
787 BrOO Bromine dioxide broo  
788 OBrO Bromine dioxide radical obro  
789 NF2 Difluoroamino radical nf2  
790 PF2 Phosphorus difluoride pf2  
791 PF2+ Phosphorus difluoride cation pf2+  
792 SF2- sulfur difluoride anion sf2-  
793 SF2+ sulfur difluoride cation sf2+  
794 Cl2O Dichlorine monoxide cl2o  
795 SeF2 Selenium difluoride sef2  
796 BrOCl Bromine hypochlorite brocl  
797 BrOBr Bromine oxide brobr  
798 F3- trifluoride anion f3-  
799 Cl3- trichloride anion cl3-  
800 Br3- tribromide anion br3-  
801 I3- triiodide i3-  
802 SFCl Sulfur chloride fluoride sfcl  
803 HCCF+ fluoroacetylene cation hccf+  
804 HCCCl Chloroacetylene hcccl  
805 HCCBr bromoacetylene hccbr  
806 HFCO+ formyl fluoride cation hfco+  
807 COHCl Formyl chloride cohcl  
808 COHBr Formyl bromide cohbr  
809 BHF2 Difluoroborane bhf2  
810 BHCl2 Borane, dichloro- bhcl2  
811 CHCl2 dichloromethyl radical chcl2  
812 CHF2 difluoromethyl radical chf2  
813 CHF2+ difluoromethyl cation chf2+  
814 CHFCl Chlorofluoromethyl radical chfcl  
815 CHFCl+ Chlorofluoromethyl cation chfcl+  
816 CHCl2+ dichloromethyl cation chcl2+  
817 CHBr2 dibromomethyl radical chbr2  
818 HOClO Chlorous acid hoclo  
819 NHF2 difluoramine nhf2  
820 NHCl2 dichloroamine nhcl2  
821 CH2FCl fluorochloromethane ch2fcl  
822 SiH2F2 difluorosilane sih2f2  
823 CH2Cl2 Methylene chloride ch2cl2  
824 CH2BrF Methane, bromofluoro- ch2fbr  
825 CH2BrCl Methane, bromochloro- ch2clbr  
826 CH2FI fluoroiodomethane ch2fi  
827 CH2Br2 dibromomethane ch2br2  
828 CH2ClI chloroiodomethane ch2cli  
829 CH2BrI bromoiodomethane ch2bri  
830 CH2I2 Diiodomethane ch2i2  
831 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
832 CH2CHF Ethene, fluoro- ch2chf  
833 CH2CHF+ fluoroethene cation ch2chf+  
834 C2H3Cl Ethene, chloro- ch2chcl  
835 C2H3Br vinyl bromide c2h3br  
836 C2H3I Vinyl iodide c2h3i  
837 CH2FOH fluoromethanol ch2foh  
838 CH3OCl methyl hypochlorite ch3ocl  
839 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
840 CHClCH3 1-chloroethyl radical chclch3  
841 CH3CH2Cl Ethyl chloride c2h5cl  
842 CH3SiFH2 fluoromethylsilane ch3sifh2  
843 C2H5Br Ethyl bromide etbr  
844 C2H5I Ethyl iodide c2h5i  
845 KrF2 Krypton difluoride krf2  
846 XeF2 Xenon difluoride xef2  
847 B4H10 Tetraborane(10) b4h10  
848 C4H2 Diacetylene c4h2  
849 C4H2+ diacetlyene cation c4h2+  
850 C2H3CCH 1-Buten-3-yne c2h3cch  
851 C4H4 cyclobutadiene cbd  
852 C4H4 Tetrahedrane c4h4  
853 H2CCCCH2 Butatriene h2cccch2  
854 C4H6 1-Methylcyclopropene c3100047  
855 C4H6 Cyclobutene c822355  
856 C4H6 Methylenecyclopropane c6142730  
857 CH2CCHCH3 1,2-Butadiene butad12  
858 CH2CHCHCH2 1,3-Butadiene c106990  
859 CH3CCCH3 2-Butyne c503173  
860 CHCCH2CH3 1-Butyne c107006  
861 CH3CHCHCH2 methylallyl radical c4h7  
862 C4H8 methylcyclopropane mcp  
863 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
864 CH2CHCH2CH3 1-Butene bute1  
865 CH3CHCHCH3 2-Butene, (E)- bute2e  
866 CH3CHCHCH3 2-Butene, (Z)- bute2z  
867 B(CH3)3 trimethylborane bme3  
868 Al(CH3)3 trimethyl aluminum tma  
869 C(CH3)3 Tert-butyl radical tbutyl  
870 CH2CH(CH3)2 Isobutyl radical isobutyl  
871 CH3CHCH2CH3 2-Butyl radical butyl2  
872 CH3CH(CH3)CH3 Isobutane isobutane  
873 CH3CH2CH2CH3 Butane butane  
874 SiH(CH3)3 trimethylsilane trimsi  
875 Li3N trilithium nitride li3n  
876 C2N2 Cyanogen c2n2  
877 C2N2+ Cyanogen cation c2n2+  
878 P4 Phosphorus tetramer p4  
879 As4 Arsenic tetramer as4  
880 H2CNCN cyanamide, methylene ch2ncn  
881 HNCCNH Ethenediimine hnccnh  
882 C3H3N acrylonitrile ch2chcn  
883 C3H3N+ acrylonitrile cation ch2chcn+  
884 CH3N3 methyl azide ch3n3  
885 NH2CCNH2 Diaminoacetylene daa  
886 NH2CH2CN Aminoacetonitrile aan  
887 CH3NHN2+ methyl azide, protonated ch3nhn2+  
888 C2H5CN ethyl cyanide c2h5cn  
889 CH5N3 Guanidine guanidine  
890 C4H6 Bicyclo[1.1.0]butane c157335  
891 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
892 H2NCHCHNH2 diaminoethylene dae  
893 CH6N3+ guanidinium ch6n3+  
894 C3H7N Cyclopropylamine cpram  
895 CH7N3 triaminomethane tam  
896 C3H7N Azetidine azet  
897 C4H8 cyclobutane cbutane  
898 C2H8N2 Ethylenediamine ethdiam  
899 CH3NHNHCH3 dimethyl hydrazine dmh  
900 CH3CH(NH2)CH3 2-Propanamine pram2  
901 N(CH3)3 Trimethylamine trimeam  
902 NH2CH2CH2CH3 1-Propanamine pram1  
903 P(CH3)3 trimethylphosphine tmp  
904 N(SiH3)3 trisilylamine tsa  
905 As(CH3)3 trimethyl arsine tmas  
906 (CH3)3NH+ protonated trimethyl amine ptma  
907 C3H7NH3+ n-propylamine, protonated c3h7nh2  
908 Li2O2 dilithium dioxide li2o2  
909 Na2O2 disodium dioxide na2o2  
910 K2O2 dipotassium dioxide k2o2  
911 C3O Tricarbon monoxide c3o  
912 B2O2 Diboron dioxide b2o2  
913 ONNO NO dimer onno  
914 CO3 Carbon trioxide co3  
915 CO3-- carbonate co3--  
916 NO3- nitrate anion no3-  
917 NO3+ nitrogen trioxide cation no3+  
918 SO3- Sulfur trioxide anion so3-  
919 SO3-- Sulfate dianion so3--  
920 SO3+ Sulfur trioxide cation so3+  
921 SeO3 selenium trioxide seo3  
922 TeO3 Tellurium trioxide teo3  
923 HCO3- bicarbonate anion hco3-  
924 HNO3 Nitric acid hno3  
925 HSO3 Hydroxysulfonyl radical hso3  
926 NH2NO2 nitramide nh2no2  
927 C2H2CO cyclopropenone c2h2co  
928 C3H2O Propadienal c3h2o  
929 HCCCHO 2-propynal hcccho  
930 C2H2O2 Ethanedial c2h2o2  
931 C2H2O2+ Ethanedial cation c2h2o2+  
932 H2CO3 Carbonic acid h2co3  
933 H2CS3 thiocarbonic acid h2cs3  
934 H2NO3+ Nitric Acid, Protonated h2no3+  
935 H2SO3 Sulfurous acid h2so3  
936 C2H3NO Nitrosoethylene c2h3no  
937 CH3NCO methylisocyante ch3nco  
938 HOCH2CN cyanomethanol hoch2cn  
939 CH3COO- acetate anion ch3coo-  
940 CH3NO2 Methane, nitro- ch3no2  
941 CH3ONO Methyl nitrite ch3ono  
942 NH2COOH Carbamic acid nh2cooh  
943 H3BO3 Boric acid h3bo3  
944 H3CO3+ carbonic acid, protonated h3co3+  
945 C3H4O 2-Propyn-1-ol c107197  
946 C3H4O Cyclopropanone cpone  
947 C3H4O Methylketene c6004440  
948 NH2CONH2 Urea urea  
949 NH2CONH2+ Urea cation urea+  
950 NH2CSNH2 Thiourea thiourea  
951 C2H4O2 1,3-dioxetane c2h4o2  
952 CH3COOH Acetic acid ch3cooh  
953 CH3OCHO methyl formate ch3ocho  
954 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
955 NH3COOH+ protonated Carbamic acid nh3cooh+  
956 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
957 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
958 HCOOHH2O Formic acid water dimer hcoohh2o  
959 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
960 CH3COCH2 Acetonyl radical ch3coch2  
961 CH2C(OH)NH2 1-amino vinyl alchohol ava  
962 CH3C(OH)=NH Ethaninidic acid eia  
963 CH3CONH2 Acetamide acetamide  
964 HCONHCH3 N-methylformamide nmfa  
965 CH5N2O+ urea, N-protonated ch4n2o+  
966 H2NCOHNH2+ urea, protonated ureah+  
967 C2H5OO ethylperoxy radical c2h5oo  
968 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
969 C3H5OH Cyclopropanol cproh  
970 C3H6O 2-Propen-1-ol c107186  
971 C3H6O Acetone enol enol  
972 C3H6O Oxetane oxetane  
973 C3H6O Propylene oxide prox  
974 CH3CH2CHO Propanal propanal  
975 CH3COCH3 Acetone acetone  
976 CH3COCH3- acetone anion ch3coch3-  
977 C3H6S Thietane thietane  
978 C3H6S Thiirane, methyl- methiirane  
979 CH3CSCH3 Thioacetone ch3csch3  
980 C2H6O2 1,2-Ethanediol ethdiol  
981 CH3OOCH3 dimethylperoxide dmp  
982 CH3SOCH3 Dimethyl sulfoxide dmso  
983 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
984 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
985 CH3COHCH3+ acetone, protonated acetoneh+  
986 HOCH2CH2NH2 monoethanolamine mea  
987 CH3CHOHCH3 Isopropyl alcohol isoproh  
988 CH3OC2H5 Ethane, methoxy- etome  
989 C3H7SH 1-Propanethiol prsh  
990 CH3CHSHCH3 2-Propanethiol isoprsh  
991 CH3SCH2CH3 Ethane, (methylthio)- etsme  
992 H2OCH3OCH3 water dimethylether dimer h2och3och3  
993 Li2F2 Lithium fluoride dimer li2f2  
994 Na2F2 Sodium Fluoride Dimer na2f2  
995 Na2Cl2 Disodium dichloride na2cl2  
996 C2Cl2 dichloroacetylene c2cl2  
997 C2Cl2+ dichloroacetylene cation c2cl2+  
998 FNO2 Nitryl fluoride fno2  
999 FONO Nitrosyl hypofluorite fono  
1000 ClNO2 Nitryl chloride clno2  
1001 ClONO chlorine nitrite clono  
1002 BrONO Bromine nitrite brono  
1003 N2F2 (Z)-Difluorodiazene n2f2_z  
1004 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1005 CF2O+ Carbonic difluoride cation f2co+  
1006 COFCl Carbonic chloride fluoride cofcl  
1007 CCl2O Phosgene cl2co  
1008 COBr2 Carbonic dibromide cobr2  
1009 BF3- Borane, trifluoro- anion bf3-  
1010 BF3+ boron trifluoride cation bf3+  
1011 BClF2 Chlorodifluoroborane bclf2  
1012 AlF2Cl Aluminum chloride difluoride alclf2  
1013 ScF3 Scandium trifluoride ScF3  
1014 AlFCl2 Aluminum dichloride fluoride alcl2f  
1015 BCl3 Borane, trichloro- bcl3  
1016 BCl3+ Boron Trichloride cation bcl3+  
1017 GaF3 Gallium trifluoride gaf3  
1018 AlCl3 Aluminum trichloride alcl3  
1019 GaCl3 Gallium trichloride gacl3  
1020 BBr3 Boron tribromide bbr3  
1021 AlBr3 Aluminum Bromide albr3  
1022 ClO3 Chlorine trioxide clo3  
1023 ClO3- chlorate anion clo3-  
1024 BrO3- Bromate anion bro3-  
1025 CF3 Trifluoromethyl radical cf3  
1026 CF3- Trifluoromethyl anion cf3-  
1027 CF3+ Trifluoromethyl cation cf3+  
1028 CF2Cl difluorochloromethyl radical cf2cl  
1029 SiF3 Silicon trifluoride radical sif3  
1030 SiF3+ Silicon trifluoride cation sif3+  
1031 CFCl2 dichlorofluoromethyl radical cfcl2  
1032 CCl3 Trichloromethyl radical ccl3  
1033 CCl3- Trichloromethyl anion ccl3-  
1034 CCl3+ Trichloromethyl cation ccl3+  
1035 SiCl3 trichlorosilyl radical sicl3  
1036 SiCl3+ trichlorosilyl cation sicl3+  
1037 CBr3 tribromomethyl radical cbr3  
1038 FOOF Perfluoroperoxide foof  
1039 ClOOCl Dichlorine dioxide cloocl  
1040 SOCl2 thionyl chloride socl2  
1041 SeOCl2 selenium oxychloride seocl2  
1042 NF3 Nitrogen trifluoride nf3  
1043 PF3 Phosphorus trifluoride pf3  
1044 NCl3 nitrogen trichloride ncl3  
1045 AsF3 Arsenic trifluoride asf3  
1046 PCl3 Phosphorus trichloride pcl3  
1047 SbF3 Antimony Trifluoride sbf3  
1048 AsCl3 Arsenous trichloride ascl3  
1049 SbCl3 Antimony Trichloride sbcl3  
1050 NBr3 Nitrogen Tribromide nbr3  
1051 PBr3 Phosphorus tribromide pbr3  
1052 AsBr3 Arsenic tribromide asbr3  
1053 NI3 Nitrogen triiodide ni3  
1054 PI3 Phosphorus triiodide pi3  
1055 ClSSCl Disulfur dichloride s2cl2  
1056 BrF3 Bromine trifluoride brf3  
1057 IF3 iodone trifluoride if3  
1058 CHF3 Methane, trifluoro- chf3  
1059 CHF2Cl difluorochloromethane chf2cl  
1060 SiHF3 trifluorosilane sihf3  
1061 CHFCl2 fluorodichloromethane chfcl2  
1062 CDCl3 trichloromethane-d cdcl3  
1063 CHCl3 Chloroform chcl3  
1064 CHBrF2 Methane, bromodifluoro- chbrf2  
1065 SiHCl3 Trichlorosilane sihcl3  
1066 CHFClBr fluorochlorobromomethane chfclbr  
1067 CHBrCl2 Methane, bromodichloro- chbrcl2  
1068 CHF2I difluoroiodomethane chf2i  
1069 CHBr2F dibromofluoromethane chbr2f  
1070 CHFClI fluorochloroiodomethane chfcli  
1071 CHCl2I dichloroiodomethane chcl2i  
1072 CHClBr2 Methane, dibromochloro- chclbr2  
1073 CHBr3 bromoform chbr3  
1074 CHI3 Iodoform chi3  
1075 NF3H+ protonated nitrogen trifluoride nf3h+  
1076 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1077 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1078 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1079 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1080 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1081 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1082 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1083 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1084 C2H2Br2 1,1-dibromoethene c2h2br2  
1085 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1086 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1087 CH2FCHO Fluoroacetaldehyde ch2fcho  
1088 CH3COF Acetyl fluoride ch3cof  
1089 CH2ClCHO chloroacetaldehyde ch2clcho  
1090 CH3COCl Acetyl Chloride ch3cocl  
1091 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1092 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1093 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1094 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1095 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1096 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1097 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1098 CH2CFCH3 2-fluoropropene 2fpro  
1099 CH2CHCH2F Allyl Fluoride allylf  
1100 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1101 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1102 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1103 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1104 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1105 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1106 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1107 CH2FCH2CH3 1-Fluoropropane prf1  
1108 CH3CHFCH3 2-Fluoropropane prf2  
1109 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1110 CH3CHClCH3 Propane, 2-chloro- prcl2  
1111 CH3CH2CH2Br n-propyl bromide prbr  
1112 CH3CHBrCH3 i-propyl bromide iprbr  
1113 C3H9O+ trimethyl oxonium cation c3h9o+  
1114 B5H9 pentaborane9 b5h9  
1115 C5H4 pentatetraene ptrene  
1116 C5H5 cyclopentadienyl radical c5h5  
1117 C5H6 1,3-Cyclopentadiene c542927  
1118 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1119 C5H6 3-Penten-1-yne, (E)- c2004695  
1120 C5H6 3-Penten-1-yne, (Z)- c1574409  
1121 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1122 C5H6 Cyclopropylacetylene c6746947  
1123 C5H6 Propellane propellane  
1124 C5H7 1,3-pentadienyl radical pdyl  
1125 C5H7 cyclopentenyl radical cpyl  
1126 C5H8 1,2-Butadiene, 3-methyl- c598254  
1127 C5H8 1,2-Pentadiene c591957  
1128 C5H8 1,3-Butadiene, 2-methyl- c78795  
1129 C5H8 1,3-Pentadiene, (E)- c2004708  
1130 C5H8 1,3-Pentadiene, (Z)- c1574410  
1131 C5H8 1,4-Pentadiene c591935  
1132 C5H8 1-pentyne a1pentyne  
1133 C5H8 2,3-Pentadiene c591968  
1134 C5H8 Bicyclo[1.1.1]pentane bcp  
1135 C5H8 Cyclobutane, methylene- c1120565  
1136 C5H8 Cyclopentene c142290  
1137 C5H8 Ethenylcyclopropane c693867  
1138 CH3CCCH2CH3 2-Pentyne 2pentyne  
1139 C5H10 1-Butene, 2-methyl- c563462  
1140 C5H10 2-Butene, 2-methyl- c513359  
1141 C5H10 2-Pentene, (E)- c646048  
1142 C5H10 2-Pentene, (Z)- c627203  
1143 C5H10 Cyclopentane c287923  
1144 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1145 CH2CHCH2CH2CH3 1-pentene pentene  
1146 C5H11 2-Methylbut-2-yl radical c4348350  
1147 C5H12 Butane, 2-methyl- buta2  
1148 C5H12 Pentane pentane  
1149 C5H12 Propane, 2,2-dimethyl- neopentane  
1150 Si(CH3)4 tetramethylsilane tms  
1151 C3H2N2 Malononitrile c3h2n2  
1152 CH2N4 1H-Tetrazole 1htz  
1153 C3H3N2 imidazolyl radical im  
1154 C3H3N2- imidizolyl anion im-  
1155 C2H3N3 1H-1,2,4-Triazole c288880  
1156 C4H4N pyrrolide radical c4h4n  
1157 C4H4N- pyrrolide anion c4h4n-  
1158 C3H4N2 1H-Imidazole 1himidaz  
1159 C3H4N2 1H-Pyrazole 1hpyraz  
1160 C3H4N2 2H-Imidazole imid2h  
1161 C3H4N2 4H-Imidazole imid4h  
1162 C4H5N (E)-2-Butenenitrile c627269  
1163 C4H5N (Z)-2-Butenenitrile c1190767  
1164 C4H5N 2H-pyrrole pyrrole2  
1165 C4H5N 3H-pyrrole pyrrole3  
1166 C4H5N Cyclopropanecarbonitrile c5500210  
1167 C4H5N Pyrrole pyrrole  
1168 CH2CHCH2CN Allylcyanide ch2chch2cn  
1169 C4H6N+ pyrrole, alpha-protonated appyr  
1170 C4H6N+ pyrrole, beta-protonated bppyr  
1171 C4H6N+ pyrrole, protonated ppyr  
1172 C3H6N2 3-Aminopropionitrile c151188  
1173 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1174 CH3CH2CH2CN Butanenitrile c109740  
1175 C5H8 Spiropentane c157404  
1176 C4H9N Cyclobutylamine cbam  
1177 C4H9N Pyrrolidine pyrrolidine  
1178 C3H10N2 1,2-Diaminopropane diampr12  
1179 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1180 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1181 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1182 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1183 NH(C2H5)2 diethylamine dea  
1184 NC4H12+ tetramethyl ammonium cation nc4h12+  
1185 C3O2 Carbon suboxide c3o2  
1186 B2O3 diboron trioxide b2o3  
1187 MgCO3 Magnesium Carbonate mgco3  
1188 BeCO3 Beryllium Carbonate beco3  
1189 CaCO3 Calcium Carbonate caco3  
1190 ONONO Nitrosyl nitrite onono  
1191 PO4--- phosphate po4---  
1192 SO4-- sulfate so4--  
1193 HOONO2 peroxy nitric acid hoono2  
1194 HSO4- bisulfate anion hso4-  
1195 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1196 C3H2O2 Propiolic acid c3h2o2  
1197 CHOCOOH oxo acetic acid oaa  
1198 CHOOCHO diformyl ether choocho  
1199 H2SeO4 Selenic acid h2seo4  
1200 C3H3NO Isoxazole isox  
1201 C3H3NO Oxazole oxazole  
1202 C3H3NS Thiazole thiazole  
1203 CH3C(O)OO acetyl peroxy radical ch3coo2  
1204 CH3NO3 Methyl nitrate ch3no3  
1205 H3PO4 Phosphoric Acid h3po4  
1206 C4H4O Furan furan  
1207 C4H4O+ Furan cation furan+  
1208 CH3COCCH 3-butyn-2-one c1423605  
1209 C4H4S Thiophene furans  
1210 C4H4Se selenophene c4h4se  
1211 C3H4O2 β–Propiolactone beta  
1212 C3H4O2 2-Propenoic acid propenoic2  
1213 C3H4O2 Methyl glyoxal megly  
1214 C3H4O2 propanedial propanedial  
1215 C3H4O2 propenalol propenalol  
1216 HOCHCCHOH allenediol aldiol  
1217 C2H4O3 1,2,3-trioxolane c2h4o3  
1218 C2H4O3 trioxolane124 triox  
1219 HOCH2COOH Hydroxyacetic acid hac  
1220 CH2CHCONH2 Acrylamide c79061  
1221 CH3OCH2CN Methoxyacetonitrile c1738369  
1222 CH5N3S Hydrazinecarbothioamide c79196  
1223 H2NCH2COOH Glycine glycine  
1224 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1225 C4H6O cis-2-butenal butenal2c  
1226 C4H6O Cyclobutanone cbutone  
1227 C4H6O Furan, 2,3-dihydro- furan23h  
1228 C4H6O Furan, 2,5-dihydro- furan25h  
1229 CH2CHOCHCH2 Vinyl ether vinylether  
1230 CHOCHCHCH3 2-Butenal butenal2  
1231 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1232 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1233 CH2CHSCHCH2 Divinyl sulfide divis  
1234 C2H6N2O Urea, methyl- c598505  
1235 C3H6O2 1,3-Dioxolane dioxolane  
1236 CH3CH2COOH Propanoic Acid propanoic  
1237 CH3COOCH3 methyl acetate aame  
1238 HCOOC2H5 Ethyl formate faee  
1239 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1240 C3H7NO dimethylformamide dmf  
1241 C3H7NO Propanamide propanam  
1242 C2H3OC2H5 Ethene, ethoxy- c109922  
1243 C4H8O Cyclobutanol c2919235  
1244 C4H8O Furan, tetrahydro- thf  
1245 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1246 CH3COCH2CH3 2-Butanone buta2one  
1247 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1248 CHOCH2CH2CH3 Butanal butanal  
1249 C4H8S Thiophene, tetrahydro- tht  
1250 C3H8O2 1,3-Propanediol c504632  
1251 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1252 C3H8O2 Methane, dimethoxy- c109875  
1253 C3H8O2 Propylene glycol c57556  
1254 C3H8S2 1,3-Propanedithiol c109808  
1255 C4H10O 1-Butanol butanol1  
1256 C4H10O 1-Propanol, 2-methyl- c78831  
1257 C4H10O 2-Butanol, (.+/-.)- butanol2  
1258 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1259 C4H10O Ethoxy ethane etoet  
1260 C4H10O Methyl propyl ether meopr  
1261 C4H10O Propane, 2-methoxy- c598538  
1262 C4H10O+ 1-Butanol cation butanol1+  
1263 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1264 C2H5SC2H5 Diethyl sulfide etset  
1265 C4H9SH 1-Butanethiol bush  
1266 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1267 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1268 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1269 FNO3 Fluorine nitrate fno3  
1270 ClONO2 Chlorine nitrate clono2  
1271 BrONO2 Bromine nitrate brono2  
1272 TiCl4 Titanium tetrachloride ticl4  
1273 ClO4- perchlorate anion clo4-  
1274 BF4- tetrafluoroboron anion bf4-  
1275 ClFO3 Perchloryl fluoride clfo3  
1276 SO2F2 Sulfuryl fluoride so2f2  
1277 SO2Cl2 Sulfuryl chloride so2cl2  
1278 F3NO Nitrogen trifluoride oxide f3no  
1279 F3PO Phosphoryl fluoride pf3o  
1280 Cl3PO Phosphoryl chloride pcl3o  
1281 CF4 Carbon tetrafluoride cf4  
1282 CF3Cl Methane, chlorotrifluoro- cf3cl  
1283 SiF4 Silicon tetrafluoride sif4  
1284 TiF4 Titanium tetrafluoride tif4  
1285 CFCl3 Trichloromonofluoromethane cfcl3  
1286 CF3Br Bromotrifluoromethane cf3br  
1287 GeF4 Germanium tetrafluoride gef4  
1288 CCl4 Carbon tetrachloride ccl4  
1289 CCl4+ Carbon tetrachloride cation ccl4+  
1290 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1291 SiCl4 Silane, tetrachloro- sicl4  
1292 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1293 CF3I trifluoroiodomethane cf3i  
1294 CBrCl3 Methane, bromotrichloro- cbrcl3  
1295 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1296 GeCl4 Germanium Tetrachloride gecl4  
1297 CBr2ClF dibromochlorofluoromethane cbr2clf  
1298 CBr2Cl2 dibromodichloromethane cbr2cl2  
1299 CCl3I trichloroiodomethane ccl3i  
1300 CFBr3 fluorotribromomethane cfbr3  
1301 CFClBrI fluorochlorobromoiodomethane cfclbri  
1302 CBr3Cl tribromochloromethane cbr3cl  
1303 CF2I2 difluorodiiodomethane cf2i2  
1304 CBr4 Carbon tetrabromide cbr4  
1305 CCl2I2 dichlorodiiodomethane ccl2i2  
1306 SiBr4 Silicon tetrabromide sibr4  
1307 CBr3I tribromoiododmethane cbr3i  
1308 GeBr4 Germanium tetrabromide gebr4  
1309 CI4 tetraiodomethane ci4  
1310 SiI4 silicon tetraiodide sii4  
1311 ClOF3 Chlorine trifluoride oxide clof3  
1312 SeF4 Selenium tetrafluoride sef4  
1313 SCl4 Sulfur tetrachloride scl4  
1314 C2HF3+ Trifluoroethylene cation c2hf3+  
1315 CHClCCl2 Trichloroethylene chclccl2  
1316 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1317 HSO3F Fluorosulfonic acid hso3f  
1318 CF3OH trifluoromethanol cf3oh  
1319 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1320 CHClCCHCl 1,3-dichloroallene chclcchcl  
1321 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1322 CHCl2CHO dichloroacetaldehyde chcl2cho  
1323 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1324 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1325 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1326 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1327 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1328 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1329 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1330 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1331 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1332 NH3BCl3 Amminetrichloroboron nh3bcl3  
1333 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1334 C3H5ClO Oxirane, (chloromethyl)- c106898  
1335 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1336 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1337 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1338 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1339 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1340 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1341 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1342 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1343 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1344 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1345 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1346 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1347 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1348 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1349 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1350 C4H9F 1-fluorobutane butaf1  
1351 CH3CHFCH2CH3 2-fluorobutane butaf2  
1352 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1353 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1354 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1355 XeF4 Xenon tetrafluoride xef4  
1356 C2H2N2O Furazan furazan  
1357 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1358 NH3BF3 Amminetrifluoroboron nh3bf3  
1359 C6H2 hexatriyne c6h2  
1360 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1361 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1362 C6H4 Benzyne benzyne  
1363 C6H5- phenyl anion phenyl-  
1364 C6H6 Prismane prismane  
1365 C6H6 1,2,4,5-Hexatetraene ht1245  
1366 C6H6 2,4-Hexadiyne hexadiyne  
1367 C6H6 3,4-Dimethylenecyclobutene cb34m  
1368 C6H6 Benzene benzene  
1369 C6H6 Benzvalene bv  
1370 C6H6 Dewar Benzene dewar  
1371 C6H6 Hexa-1,5-diene-3-yne hdy153  
1372 C6H6 Trimethylenecycopropane tmcp  
1373 C6H6+ Benzene cation c6h6+  
1374 C6H7+ benzene, protonated c6h7+  
1375 C6H8 (E)-hexa-1,3,5-triene c821078  
1376 C6H8 (E)-hexa-2,3,4-triene c59660650  
1377 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1378 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1379 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1380 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1381 C6H8 3-Methylenecyclopentene c930267  
1382 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1383 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1384 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1385 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1386 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1387 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1388 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1389 C6H10 1,5-Hexadiene c592427  
1390 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1391 C6H10 1-Hexyne hexyne1  
1392 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1393 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1394 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1395 C6H10 2-Hexyne c764352  
1396 C6H10 3-Hexyne hexyne3  
1397 C6H10 cyclohexene cyclohexene  
1398 C6H10 Cyclopentene, 1-methyl- c693890  
1399 C6H10 Cyclopentene, 3-methyl- c1120623  
1400 C6H10 Cyclopentene, 4-methyl- c1759815  
1401 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1402 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1403 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1404 C6H12 (E)-2-Hexene e2hexene  
1405 C6H12 (E)-3-methylpent-2-ene c616126  
1406 C6H12 (E)-hex-3-ene e3hexene  
1407 C6H12 (Z)-3-methylpent-2-ene c922623  
1408 C6H12 (Z)-hex-2-ene z2hexene  
1409 C6H12 (Z)-hex-3-ene z3hexene  
1410 C6H12 2,3-dimethylbut-1-ene c563780  
1411 C6H12 2,3-dimethyl-but-2-ene tmeet  
1412 C6H12 3-methylenepentane c760214  
1413 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1414 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1415 C6H12 Cyclohexane cyclohexane  
1416 C6H12 Cyclopentane, methyl- c96377  
1417 C6H12 Ethylcyclobutane c4806615  
1418 C6H12 hex-1-ene hexene1  
1419 C6H14 Butane, 2,2-dimethyl- buta22  
1420 C6H14 Butane, 2,3-dimethyl- buta23  
1421 C6H14 Hexane hexane  
1422 C6H14 Pentane, 2-methyl- penta2  
1423 C6H14 Pentane, 3-methyl- penta3  
1424 C4N2 2-Butynedinitrile c4n2  
1425 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1426 C4H2N2 Fumaronitrile c4h2n2  
1427 C2H2N4 sym-tetrazine ttz  
1428 C3H3N3 1,3,5-Triazine triazine135  
1429 CH3N5 5-Aminotetrazole c4418615  
1430 C4H4N2 1,3-Diazine diazine13  
1431 C4H4N2 Pyrazine pyrazine  
1432 C4H4N2 Pyridazine pyridazine  
1433 C4H4N2 Succinonitrile c110612  
1434 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1435 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1436 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1437 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1438 C5H5N E-2,4-pentadienenitrile bdcn  
1439 C5H5N Pyridine pyridine  
1440 B3N3H6 borazine borazine  
1441 C5H6N+ Pyridinium c5h6n  
1442 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1443 C5H7N (E)-2-Pentenenitrile c26294984  
1444 C5H7N (E)-3-Pentenenitrile c16529661  
1445 C5H7N (Z)-2-Pentenenitrile c25899507  
1446 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1447 C5H7N Cyclobutanecarbonitrile c4426113  
1448 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1449 C5H9N Butanenitrile, 2-methyl- c18936179  
1450 C5H9N Pentanenitrile c110598  
1451 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1452 C6H10 Bicyclo[3.1.0]hexane c285585  
1453 C5H11N Cyclopentanamine cypentam  
1454 C5H11N Piperidine piper  
1455 C4H12N2 1,2-Butanediamine c4426486  
1456 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1457 Li2CO3 Lithium Carbonate li2co3  
1458 Na2CO3 Sodium Carbonate na2co3  
1459 MgSO4 Magnesium Sulfate mgso4  
1460 N2O4 Dinitrogen tetroxide n2o4  
1461 C3H2O3 vinylene carbonate vica  
1462 C2H2O4 Oxalic Acid oxalic  
1463 C2H3NO3 Oxamic acid oxamic  
1464 C4H4O2 2(5H)-Furanone furanone  
1465 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1466 C2H4N2O2 Oxalamide oxalamide  
1467 C2H4N2S2 Ethanedithioamide c79403  
1468 C2H4CO3 Ethylene carbonate etco3  
1469 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1470 C3H4S3 1,3-Dithiolane-2-thione c822388  
1471 C2H4O4 Formic acid dimer fadimer  
1472 C4H5NO 3-Methylisoxazole isox3m  
1473 C4H5NO Isoxazole, 5-methyl- c5765446  
1474 C4H5NS 4-Methylthiazole c693958  
1475 C2H5NO3 Nitric acid, ethyl ester c625581  
1476 C5H6O 2H-Pyran pyran2  
1477 C5H6O 2-methylfuran furan2m  
1478 C5H6O 3-Methylfuran furan3m  
1479 C5H6O Pentadienal pdal  
1480 C5H6S Thiophene, 2-methyl- c554143  
1481 C5H6S Thiophene, 3-methyl- c616444  
1482 C4H6O2 γ–Butyrolactone c96480  
1483 C4H6O2 2,3-Butanedione c431038  
1484 C4H6O2 2-Propenoic acid, methyl ester c96333  
1485 C4H6O2 Crotonic Acid crot  
1486 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1487 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1488 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1489 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1490 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1491 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1492 C4H6OS Vinyl sulfoxide c1115157  
1493 CH6N4S Carbonothioic dihydrazide thiacarb  
1494 C2H6N2O2 (E)-Azodioxymethane c37765154  
1495 C2H6N2O2 Dimethylnitroamine c4164287  
1496 C3H6O3 1,3,5-Trioxane trioxane  
1497 C3H6S3 1,3,5-Trithiane c3h6s3  
1498 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1499 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1500 C4H7NO 2-Pyrrolidinone c616455  
1501 C4H7NO Ethoxyacetonitrile etoaccn  
1502 C4H7NO Methacrylamide c79390  
1503 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1504 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1505 C3H7ONO Propyl nitrite prono  
1506 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1507 CH3CH(NH2)COOH Alanine alanine  
1508 CH3NHCH2COOH Sarcosine sarcosine  
1509 NH2CH2CH2COOH β–alanine betaalanine  
1510 NH2COOC2H5 Urethane urethane  
1511 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1512 C5H8O Cyclopentanone c120923  
1513 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1514 C5H8O Methyl cyclopropyl ketone c765435  
1515 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1516 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1517 NH2CONHC2H5 Urea, ethyl- c625525  
1518 C4H8O2 1,3-Dioxane dioxan13  
1519 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1520 C4H8O2 1,4-Dioxane dioxan14  
1521 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1522 C4H8O2 Ethyl acetate c141786  
1523 C4H8OS s-Ethyl thioacetate c625605  
1524 C3H8O3 1,2,3-Propanetriol glycerin  
1525 C3H8O2S (Methylsulfonyl)ethane c594434  
1526 C4H9NO Butanamide c541355  
1527 C4H9NO Propanamide, 2-methyl- c563837  
1528 C5H10O 2-Butanone, 3-methyl- c563804  
1529 C5H10O 2H-Pyran, tetrahydro- c142687  
1530 C5H10O 2-methylbutyraldehyde 2meba  
1531 C5H10O 2-Pentanone mpk  
1532 C5H10O 3-Pentanone dek  
1533 C5H10O Cyclopentanol c96413  
1534 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1535 C5H10O Pentanal pal  
1536 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1537 C5H10S 3-Ethylthio-1-propene c5296628  
1538 C5H10S Cyclopentanethiol c1679078  
1539 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1540 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1541 C4H10O2 1,1-Dimethoxyethane c534156  
1542 C4H10O2 1,3-Butanediol budiol13  
1543 C4H10O2 1,4-Butanediol budiol14  
1544 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1545 C4H10OS Diethyl sulfoxide c70291  
1546 C4H10S2 1,4-Butanedithiol budisl14  
1547 C4H11NO Diethylhydroxylamine c3710847  
1548 C5H12O 1-Butanol, 2-methyl- c137326  
1549 C5H12O 1-Butanol, 3-methyl- c123513  
1550 C5H12O 1-Pentanol pentanol1  
1551 C5H12O 2-Butanol, 3-methyl- c598754  
1552 C5H12O 2-Pentanol peol2  
1553 C5H12O 3-Pentanol pentan3ol  
1554 C5H12O Butane, 1-methoxy- meobu  
1555 C5H12O Propane, 1-ethoxy- proet  
1556 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1557 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1558 C5H12S 1-Butanethiol, 3-methyl- c541311  
1559 C5H12S 1-Pentanethiol c110667  
1560 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1561 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1562 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1563 C5H12S Butane, 1-(methylthio)- c628295  
1564 C5H12S Ethyl propyl sulfide c4110503  
1565 C5H12S Propane, 2-(ethylthio)- c5145993  
1566 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1567 C4F2 difluorobutadiyne c4f2  
1568 ClCOClCO Oxalyl chloride oxcl  
1569 CF3CN Acetonitrile, trifluoro- cf3cn  
1570 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1571 B2F4 Diboron tetrafluoride b2f4  
1572 C2F4 Tetrafluoroethylene c2f4  
1573 C2F4+ Tetrafluoroethylene cation c2f4+  
1574 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1575 CF2CCl2 difluorodichloroethylene cf2ccl2  
1576 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1577 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1578 C2FCl3 fluorotrichloroethene c2fcl3  
1579 C2Cl4 Tetrachloroethylene c2cl4  
1580 C2Br4 tetrabromoethene c2br4  
1581 CF3OF Trifluoromethylhypofluorite cf3of  
1582 AsF5 Arsenic pentafluoride asf5  
1583 PCl5 Phosphorus pentachloride pcl5  
1584 SF5 Sulfur pentafluoride sf5  
1585 SF5+ pentafluoro sulfur cation sf5+  
1586 SbCl5 Antimony pentachloride sbcl5  
1587 BrF5 bromine pentafluoride brf5  
1588 ClF5 chlorinepentafluoride clf5  
1589 IF5 pentafluoroiodine if5  
1590 CF3CHO trifluoroacetaldehyde cf3cho  
1591 CCl3CHO trichloroacetaldehyde ccl3cho  
1592 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1593 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1594 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1595 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1596 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1597 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1598 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1599 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1600 CF3COOH trifluoroacetic acid cf3cooh  
1601 C4H3ClO Furan, 2-chloro fur2cl  
1602 C4H3ClO Furan,3-chloro fur3cl  
1603 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1604 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1605 C4H8Cl2 1,4-Dichlorobutane c110565  
1606 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1607 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1608 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1609 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1610 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1611 C5H11Cl Pentane, 1-chloro- pencl1  
1612 C4H8O2 Butanoic acid bua  
1613 C6H5CH2 benzyl radical benzyl  
1614 C7H7 cycloheptatrienyl radical c7h7  
1615 C7H7+ cycloheptatrienyl cation c7h7+  
1616 C6H5CH3 toluene toluene  
1617 C7H8 cycloheptatriene cht  
1618 C7H8 Norbornadiene norbor  
1619 C7H8 Quadricyclane qucy  
1620 C7H12 Norbornane nor  
1621 C7H14 cycloheptane c7h14  
1622 C7H16 2-methylhexane 2mhex  
1623 C7H16 3-methylhexane hex3m  
1624 C7H16 heptane heptane  
1625 CH(CN)3 tricyanomethane mecn3  
1626 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1627 C6H7N 2-Methylpyridine mp  
1628 C6H5NH2 aniline aniline  
1629 C6H13N 2-Methylpiperidine pip2m  
1630 C6H13N cyclohexanamine cham  
1631 C6H15N triethylamine tea  
1632 N2O5 Dinitrogen pentoxide n2o5  
1633 C4H2O3 Maleic Anhydride malan  
1634 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1635 C5H4O2 furfural furfural  
1636 C6H5O phenoxy radical phenoxy  
1637 C5H5NO 2(1H)-Pyridinone c72762006  
1638 C5H5NO 2(3H)-Pyridinone c9000048  
1639 C5H5NO 2(5H)-Pyridinone c9000037  
1640 C5H5NO 2-Pyridinol c109104  
1641 C5H5NO 3(2H)-Pyridinone c9000004  
1642 C5H5NO 3(4H)-Pyridinone c9000026  
1643 C5H5NO 3(6H)-Pyridinone c9000015  
1644 C5H5NO 3-Pyridinol c109002  
1645 C5H5NO 4(1H)-Pryidinone c9000060  
1646 C5H5NO 4(3H)-Pryidinone c9000059  
1647 C5H5NO 4-Pyridinol c626642  
1648 C6H5OH phenol phenol  
1649 C6H6O 2,4-Cyclohexadienone c24599573  
1650 C6H6O 2,5-Cyclohexadienone c5664335  
1651 C6H5SH Benzenethiol phsh  
1652 HO2CCHNH2CH2OH Serine serine  
1653 C5H8O2 Acetylacetone acac  
1654 C4H8O2S Sulfolane sulfolane  
1655 C7H10 Norbornene norbornene  
1656 CH(C2H3)3 trivinyl methane tvm  
1657 C6H10O cyclohexanone chexo  
1658 C6H12O hexanal c6h12o  
1659 C6H12O Oxepane oxepane  
1660 C3H7OC3H7 di-n-propyl ether propr  
1661 F2CCCF2 tetrafluoroallene pfa  
1662 CF3COO- trifluoro acetate anion cf3coo-  
1663 CF3COF trifluoroacetyl fluoride cf3cof  
1664 CF3COCl trifluoroacetyl chloride cf3cocl  
1665 PF6 Hexafluorophosphate neutral pf6  
1666 SF6 Sulfur Hexafluoride sf6  
1667 SeF6 Selenium hexafluoride sef6  
1668 CF3CHF2 pentafluoroethane cf3chf2  
1669 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1670 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1671 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1672 CCl3CHCl2 pentachloroethane ccl3chcl2  
1673 C6H5F Fluorobenzene bzf  
1674 C6H5Cl chlorobenzene bzcl  
1675 C6H5Br bromobenzene bzbr  
1676 C8H6 Calicene calicene  
1677 C8H6 benzocyclobutadiene bcbd  
1678 C8H6 Pentalene pentalene  
1679 C6H5CHCH2 Styrene styrene  
1680 C8H8 cubane cubane  
1681 C8H8 cyclooctatetraene cot  
1682 C6H5CH2CH3 Ethylbenzene etbz  
1683 CH3C6H4CH3 meta-xylene mxylene  
1684 CH3C6H4CH3 paraxylene pxylene  
1685 C8H14 Bicyclo[2.2.2]octane bico222  
1686 C8H16 cyclooctane cyclooct  
1687 (CH3)3CC(CH3)3 tetramethylbutane tmb  
1688 C8H18 Octane c8h18  
1689 C6H5CN phenyl cyanide phcn  
1690 C6H12N2 Triethylenediamine ted  
1691 C4O4-- squarate dianion c4o4--  
1692 S4N4 Tetrasulfur tetranitride s4n4  
1693 S8 Octasulfur s8  
1694 C6H4O2 parabenzoquinone pbq  
1695 C4H4N2O2 Uracil uracil  
1696 C6H5CHO benzaldehyde benzal  
1697 C6H5OCH3 Anisole anisole  
1698 C5H9NO2 Proline proline  
1699 C6H12O2 Methyl pivalate c598981  
1700 C6H12O2 Hexanoic acid hexa  
1701 C4F4 tetrafluorcyclobutadiene c4f4  
1702 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
1703 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
1704 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
1705 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
1706 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
1707 C2F6 hexafluoroethane c2f6  
1708 C2Cl6 hexachloroethane c2cl6  
1709 IF7 Iodine heptafluoride if7  
1710 C6H4F2 metadifluorobenzene mdfb  
1711 C6H4F2 orthodifluorobenzene odfb  
1712 C6H4F2 1,4-difluorobenzene pdfb  
1713 C6H4Cl2 1,2-dichlorobenzene dcb12  
1714 C6H4Cl2 1,3-dichlorobenzene dcb13  
1715 C6H4Cl2 1,4-dichlorobenzene dcb14  
1716 C6H5NO nitrosobenzene bzno  
1717 C9H8 Indene indene  
1718 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
1719 C9H12 n-propyl benzene prbz  
1720 C9H20 Nonane nonane  
1721 C(CN)4 tetracyanomethane c5n4  
1722 C5H4N4 purine purine  
1723 C8H7N Indole indole  
1724 C3H3N3O3 cyanuric acid cyanuric  
1725 C6H5NO2 Nitrobenzene c6h5no2  
1726 C6H5COOH benzoic acid benzo  
1727 CH3COC6H5 acetophenone acph  
1728 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
1729 C3F6 hexafluoropropene c3f6  
1730 C6H3F3 Benzene trifluoride 123 bzf3a  
1731 C8H18O 1-Octanol octanol  
1732 C10H8 Azulene azu  
1733 C10H8 naphthalene naph  
1734 C10H10 bullvalene bullv  
1735 C10H16 adamantane adamantane  
1736 C6N4 Tetracyanoethylene tcne  
1737 C6N4- tetracyanoethylene anion tcne-  
1738 C10H22 Decane decane  
1739 C4F6 perfluorobutadiene c4f6  
1740 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
1741 C3F8 perfluoropropane c3f8  
1742 Fe(CO)5 Iron pentacarbonyl ipc  
1743 Fe(C5H5)2 ferrocene fecp2  
1744 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1745 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
1746 C12H8 Acenaphthylene acenaph  
1747 C12H8 biphenylene biph  
1748 C12H10 biphenyl biphenyl  
1749 C12H10 Heptalene heptalene  
1750 C6H12O6 Inositol inositol  
1751 C6F6 hexafluorobenzene c6f6  
1752 S2F10 disulphur decafluoride s2f10  
1753 C13H10 Fluorene fluorene  
1754 C14H10 Anthracene anth  
1755 C14H10 Phenanthrene phenanthrene  
1756 C14H14 Bibenzyl bibenzyl  
1757 C12H10N2 azobenzene azobenzene  
1758 C6H5COC6H5 benzophenone benzophenone  
1759 C16H10 Pyrene pyrene  
1760 C18H12 Tetracene tetracene  
1761 C19H16 Triphenylmethane tpm  
1762 C24H12 Coronene coronene  
1763 C60 Buckminsterfullerene c60