Dataset

3-(Trifluoromethyl)aniline; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00414504 contains the MS2 mass spectrum of 3-(Trifluoromethyl)aniline with the InChIkey VIUDTWATMPPKEL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
SMILES C1=CC(=CC(=C1)N)C(F)(F)F
InChI Key VIUDTWATMPPKEL-UHFFFAOYSA-N
Molecular Formula C7H6F3N
Exact Mass 161.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00414504
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MetadataPublished 2024-06-14
Related Molecule
  • 3-(trifluoromethyl)aniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    51R rcsb_pdb
    CHEMBL1162293 chembl
    29410732 surechembl
    39591 surechembl
    7375 pubchem
    51R - Ideal conformer pdbe
    Z1RWM538YN fdasrs
    Molport-000-150-935 molport
    The data in this table is sourced from UniChem at EBI.