| SpectraBase Spectrum ID |
5VAdJHZkWdk |
| Name |
4-Chloro-3-(trifluoromethyl)benzoic acid |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
223.985191556 u |
| Formula |
C8H4ClF3O2 |
| InChI |
InChI=1S/C8H4ClF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14) |
| InChIKey |
PPHHAZOVVZBSCM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
224.566 g/mol |
| Nominal Mass |
224 u |
| Quality |
983 |
| Retention Index |
1374 |
| SMILES |
OC(C=1C=C(C(F)(F)F)C(=CC1)Cl)=O |
| SPLASH |
splash10-0adi-4590000000-fa102d0c3623ec8c508f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-chloro-3-(trifluoromethyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004839 |
