ACCESSION: MSBNK-EPA-ENTACT_AGILENT000873
RECORD_TITLE: 3-(Trifluoromethyl)phenol; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-(Trifluoromethyl)phenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅F₃O
CH$EXACT_MASS: 162.0292493818
CH$SMILES: OC1=CC(=CC=C1)C(F)(F)F
CH$IUPAC: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
CH$LINK: CAS 98-17-9
CH$LINK: INCHIKEY UGEJOEBBMPOJMT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7376

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 161.0219729301
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0900000000-37b2951c0705711244c7
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  121.009516 1.807675 18
  141.015745 1.707169 17
  161.021973 99.999996 999
//