Dataset

Flufenacet; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00070903 contains the MS2 mass spectrum of Flufenacet with the InChIkey IANUJLZYFUDJIH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
SMILES CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1
InChI Key IANUJLZYFUDJIH-UHFFFAOYSA-N
Molecular Formula C14H13F4N3O2S
Exact Mass 363.066 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-EQ00070903
Version
Author
Maintainer
Language
MetadataPublished 2024-06-14
Related Molecule
  • N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:81920 chebi
    CHEMBL1886718 chembl
    116467 surechembl
    86429 pubchem
    OL44PP5145 fdasrs
    169905 brenda
    HMDB0252330 hmdb
    Molport-003-933-780 molport
    The data in this table is sourced from UniChem at EBI.