Dataset

Thiacloprid

This MassBank record with Accession MSBNK-UFZ-WANA032011C9CFPH contains the MS2 mass spectrum of Thiacloprid with the InChIkey HOKKPVIRMVDYPB-GXDHUFHOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10+
SMILES ClC1=CC=C(CN2CCS\C2=N\C#N)C=N1
InChI Key HOKKPVIRMVDYPB-GXDHUFHOSA-N
Molecular Formula C10H9ClN4S
Exact Mass 252.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA032011C9CFPH
Version
Author
Maintainer
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MetadataPublished 2023-08-12
Related Molecule
  • (E)-[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CB0260844 ChemicalBook
    ZINC000100057010 ZINC
    60073353 NMRShiftDB
    SCHEMBL237347 SureChEMBL
    26754123 eMolecules
    The data in this table is sourced from UniChem at EBI.