| SpectraBase Spectrum ID |
DoatPb9K7Jw |
| Name |
3-(Trifluoromethyl)benzoic acid |
| CAS Registry Number |
454-92-2 |
| 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)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey |
FQXQBFUUVCDIRK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.121 g/mol |
| Nominal Mass |
190 u |
| Quality |
987 |
| Retention Index |
1180 |
| SMILES |
OC(C=1C=C(C(F)(F)F)C=CC1)=O |
| SPLASH |
splash10-006t-9600000000-77f938536811c2825331 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(trifluoromethyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004462 |
