m-Trifluoromethylbenzoic acid
13613
Reference
m-Trifluoromethylbenzoic acid Structure
Systematic / IUPAC Name: 3-(Trifluoromethyl)benzoic acid
ID: Reference13613
Other Names: AA-2541
Formula: C8H5F3O2
Class: Pesticides/Herbicides
Spectral Data
m-Trifluoromethylbenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 174 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/24/2025 5:06:44 PM |
Identificators
| InChI | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
| InChI Key | FQXQBFUUVCDIRK-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)c1cccc(C(F)(F)F)c1 |
| CAS | |
| Splash | |
| Other Names | AA-2541 |
In Other Databases
| ChemSpider | 9569 |
| ChEBI | CHEBI:60695 |
| ChEMBL | CHEMBL66551 |
| PubChem | 9963 |