Dataset

Chlorothalonil-TP SYN507900; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ417258 contains the MS2 mass spectrum of Chlorothalonil-TP SYN507900 with the InChIkey WUYYRWIYXBUPBS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H3Cl3N2O2/c9-4-2(1-12)7(14)6(11)5(10)3(4)8(13)15/h14H,(H2,13,15)
SMILES NC(=O)C1=C(Cl)C(C#N)=C(O)C(Cl)=C1Cl
InChI Key WUYYRWIYXBUPBS-UHFFFAOYSA-N
Molecular Formula C8H3Cl3N2O2
Exact Mass 263.926 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ417258
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MetadataPublished 2019-12-03
Related Molecule
  • 2,3,6-trichloro-5-cyano-4-hydroxybenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14339720 pubchem
    Molport-051-901-881 molport
    The data in this table is sourced from UniChem at EBI.