Dataset

Chlorothalonil TP SYN548008

This MassBank record with Accession MSBNK-Eawag-EQ500053 contains the MS2 mass spectrum of Chlorothalonil TP SYN548008 with the InChIkey MTUJZIXTGNBGGD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H6Cl2N2O8S2/c9-3-1(7(11)13)5(21(15,16)17)4(10)6(22(18,19)20)2(3)8(12)14/h(H2,11,13)(H2,12,14)(H,15,16,17)(H,18,19,20)
SMILES O=S(C1=C(C(N)=O)C(Cl)=C(C(N)=O)C(S(=O)(O)=O)=C1Cl)(O)=O
InChI Key MTUJZIXTGNBGGD-UHFFFAOYSA-N
Molecular Formula C8H6Cl2N2O8S2
Exact Mass 391.894 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-EQ500053
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:40:51.647860
MetadataModified 2025-02-09T10:04:38.575298
MetadataPublished 2021-03-16
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162420307 PubChem
The data in this table is sourced from UniChem at EBI.