| SpectraBase Spectrum ID |
DoXGIpLPKro |
| Name |
2-Fluoro-5-(trifluoromethyl)benzonitrile |
| CAS Registry Number |
194853-86-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
189.020161753 u |
| Formula |
C8H3F4N |
| InChI |
InChI=1S/C8H3F4N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H |
| InChIKey |
LCLVMSCLLULGRY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
189.113 g/mol |
| Nominal Mass |
189 u |
| Quality |
949 |
| Retention Index |
1152 |
| SMILES |
C(C=1C=C(C(=CC1)F)C#N)(F)(F)F |
| SPLASH |
splash10-000i-5900000000-be4388937f45d380e5fa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-fluoro-5-(trifluoromethyl)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005449 |
