Dataset

Acifluorfen; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU044554 contains the MS2 mass spectrum of Acifluorfen with the InChIkey NUFNQYOELLVIPL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)
SMILES OC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O
InChI Key NUFNQYOELLVIPL-UHFFFAOYSA-N
Molecular Formula C14H7ClF3NO5
Exact Mass 360.997 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU044554
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Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07338 drugbank
    CHEBI:73172 chebi
    ACJ rcsb_pdb
    CHEMBL222440 chembl
    29445767 surechembl
    29448829 surechembl
    3228873 surechembl
    38929 surechembl
    44073 pubchem
    OI60IB203A fdasrs
    PD005331 probes_and_drugs
    FIPXIL CCDC
    123007 brenda
    2168 brenda
    HMDB0037112 hmdb
    50359942 bindingdb
    The data in this table is sourced from UniChem at EBI.