Dataset

Hexaflumuron; LC-ESI-QTOF; MS2; ESI; POSITIVE; [M+H]+; CE 60 V

This MassBank record with Accession MSBNK-MSSJ-MSJ02251 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)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1
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-MSSJ-MSJ02251
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MetadataPublished 2022-03-14
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
    39383 ChEBI
    CHEMBL1892746 ChEMBL
    C18861 KEGG Ligand
    CB5193224 ChemicalBook
    J381.676A Nikkaji
    HMDB0253130 Human Metabolome Database
    HY-B1848 MedChemExpress
    DTXSID3032620 EPA CompTox Dashboard
    SCHEMBL26793 SureChEMBL
    ZINC000002383308 ZINC
    502870 eMolecules
    91741 PubChem
    14882518 PubChem: Thomson Pharma
    4GW50R449T FDA SRS
    86479-06-3 ACToR
    PD057016 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.