Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:02:13 UTC
Update Date2024-04-30 20:52:15 UTC
Metabolite IDMMDBc0054259
Metabolite Identification
Common Name4-(trifluoromethyl)benzaldehyde
Description4-(Trifluoromethyl)benzaldehyde belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. Based on a literature review a significant number of articles have been published on 4-(Trifluoromethyl)benzaldehyde.
Structure
Synonyms
ValueSource
Para-(trifluoromethyl)benzaldehydeHMDB
Molecular FormulaC8H5F3O
Average Mass174.122
Monoisotopic Mass174.02924927
IUPAC Name4-(trifluoromethyl)benzaldehyde
Traditional Namep-(trifluoromethyl)benzoyl
CAS Registry NumberNot Available
SMILES
FC(F)(F)C1=CC=C(C=O)C=C1
InChI Identifier
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChI KeyBEOBZEOPTQQELP-UHFFFAOYSA-N