| SpectraBase Spectrum ID |
5YTz5wELxgm |
| Name |
2-(Trifluoromethyl)benzoic acid |
| CAS Registry Number |
433-97-6 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.024163888 u |
| Formula |
C8H5F3O2 |
| InChI |
InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13) |
| InChIKey |
FBRJYBGLCHWYOE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.121 g/mol |
| Nominal Mass |
190 u |
| Quality |
993 |
| Retention Index |
1264 |
| SMILES |
OC(C=1C(C(F)(F)F)=CC=CC1)=O |
| SPLASH |
splash10-00fv-4900000000-b05f77f3abe7863b4c02 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
alpha,alpha,alpha-Trifluoro-o-toluic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005117 |
