Dataset

Chlorothalonil TP SYN548581; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ500102 contains the MS2 mass spectrum of Chlorothalonil TP SYN548581 with the InChIkey GTKOZWUQRHEXJR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H3Cl3N2O4S/c9-4-2(1-12)7(18(15,16)17)6(11)5(10)3(4)8(13)14/h(H2,13,14)(H,15,16,17)
SMILES NC(=O)C1=C(Cl)C(Cl)=C(C(C#N)=C1Cl)S(O)(=O)=O
InChI Key GTKOZWUQRHEXJR-UHFFFAOYSA-N
Molecular Formula C8H3Cl3N2O4S
Exact Mass 327.888 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-EQ500102
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 4-carbamoyl-2,3,5-trichloro-6-cyanobenzenesulfonic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139595145 PubChem
    The data in this table is sourced from UniChem at EBI.