3-(Trifluoromethoxy) benzoic acid

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Systematic / IUPAC Name: 3-(Trifluoromethoxy)benzoic acid

ID: Reference3311

Other Names: 3-Carboxy-α,α,α-trifluoroanisole;
BR-41820;
m-(Trifluoromethoxy)benzoic acid;
m-Trifluoromethoxybenzoic acid;
Benzoic acid, 3-(trifluoromethoxy)-

Formula: C8H5F3O3

Spectral Data

3-(Trifluoromethoxy) benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 111
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/10/2015 2:15:45 PM
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Identificators

InChI InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key OKPFIWIMBJNFSE-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)OC(F)(F)F)C(=O)O
CAS 1014819
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Other Names 3-Carboxy-α,α,α-trifluoroanisole;
BR-41820;
m-(Trifluoromethoxy)benzoic acid;
m-Trifluoromethoxybenzoic acid;
Benzoic acid, 3-(trifluoromethoxy)-

In Other Databases

ChemIDPlus 001014819
PubChem 66096
ChemSpider 59485
ChEMBL CHEMBL69854