Dataset

Acifluorfen; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ303252 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 Clc2cc(ccc2Oc1cc(C(=O)O)c([N+]([O-])=O)cc1)C(F)(F)F
InChI Key NUFNQYOELLVIPL-UHFFFAOYSA-N
Molecular Formula C14H7ClF3NO5
Exact Mass 360.996 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-Eawag-EQ303252
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Maintainer
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MetadataPublished 2015-08-25
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
    499736 eMolecules
    44073 PubChem
    PD005331 ProbesDrugs
    OI60IB203A FDA SRS
    14828337 PubChem: Thomson Pharma
    73172 ChEBI
    50594-66-6 ACToR
    SCHEMBL38929 SureChEMBL
    123007 Brenda
    2168 Brenda
    HMDB0037112 Human Metabolome Database
    CHEMBL222440 ChEMBL
    DB07338 DrugBank
    ACJ PDBe
    CB1177208 ChemicalBook
    FIPXIL CCDC
    ZINC000002032367 ZINC
    DTXSID0020022 EPA CompTox Dashboard
    50359942 BindingDB
    HY-128075 MedChemExpress
    The data in this table is sourced from UniChem at EBI.