Dataset

Hexaflumuron; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000005 contains the MS2 mass spectrum of Hexaflumuron with the InChIkey RGNPBRKPHBKNKX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
SMILES O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F
InChI Key RGNPBRKPHBKNKX-UHFFFAOYSA-N
Molecular Formula C16H8Cl2F6N2O3
Exact Mass 459.982 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-AGILENT-AG000005
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MetadataPublished 2023-02-17
Related Molecule
  • N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:39383 chebi
    CHEMBL1892746 chembl
    26793 surechembl
    91741 pubchem
    4GW50R449T fdasrs
    PD057016 probes_and_drugs
    HMDB0253130 hmdb
    Molport-003-931-380 molport
    The data in this table is sourced from UniChem at EBI.