Dataset

Chlorothalonil-TP R417888

This MassBank record with Accession MSBNK-Eawag-EQ411457 contains the MS2 mass spectrum of Chlorothalonil-TP R417888 with the InChIkey JNMMKKYUIIQPDG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H3Cl3N2O4S/c9-4-2(1-12)5(10)6(11)7(18(15,16)17)3(4)8(13)14/h(H2,13,14)(H,15,16,17)
SMILES NC(=O)C1=C(C(Cl)=C(Cl)C(C#N)=C1Cl)S(O)(=O)=O
InChI Key JNMMKKYUIIQPDG-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-EQ411457
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:15:26.392959
MetadataModified 2025-02-09T10:01:27.090741
MetadataPublished 2019-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
138402812 PubChem
DTXSID60891330 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.