Dataset

Chlorothalonil TP SYN548580; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ434052 contains the MS2 mass spectrum of Chlorothalonil TP SYN548580 with the InChIkey XERUIVSANADXCP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H5Cl3N2O3/c9-3-1(7(12)15)4(10)5(11)6(14)2(3)8(13)16/h14H,(H2,12,15)(H2,13,16)
SMILES NC(=O)c1c(O)c(Cl)c(Cl)c(C(=O)N)c1Cl
InChI Key XERUIVSANADXCP-UHFFFAOYSA-N
Molecular Formula C8H5Cl3N2O3
Exact Mass 281.937 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-EQ434052
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MetadataPublished 2021-03-16
Related Molecule
  • 2,4,5-trichloro-6-hydroxybenzene-1,3-dicarboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162420306 pubchem
    The data in this table is sourced from UniChem at EBI.