4-Trifluoromethylphenol

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Systematic / IUPAC Name: 4-(Trifluoromethyl)phenol

ID: Reference1523

Other Names: 4-Hydroxybenzotrifluoride;
p-Trifluoromethylphenol;
p-Hydroxybenzotrifluoride;
Phenol, 4-(trifluoromethyl)-;
α,α,α-Trifluoro-p-cresol

Formula: C7H5F3O

Class: Therapeutics/Prescription Drugs

Spectral Data

4-Trifluoromethylphenol 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 LTQ Orbitrap XL
No. of Spectral Trees 1
No. of Spectra 53
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/2/2014 3:21:31 PM
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Identificators

InChI InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChI Key BAYGVMXZJBFEMB-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C(F)(F)F)O
CAS 402459
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Other Names 4-Hydroxybenzotrifluoride;
p-Trifluoromethylphenol;
p-Hydroxybenzotrifluoride;
Phenol, 4-(trifluoromethyl)-;
α,α,α-Trifluoro-p-cresol

In Other Databases

HMDb HMDB14023
ChemSpider 61191
ChEMBL CHEMBL539165
ChemIDPlus 000402459
PubChem 67874
ChEBI CHEBI:42578