Dataset

Chlorothalonil-TP SYN507900

This MassBank record with Accession MSBNK-Eawag-EQ417252 contains the MS2 mass spectrum of Chlorothalonil-TP SYN507900 with the InChIkey WUYYRWIYXBUPBS-UHFFFAOYSA-N.

Chemical Info

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-EQ417252
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:04:52.245111
MetadataModified 2025-02-09T10:07:47.833955
MetadataPublished 2019-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14339720 PubChem
J1.596.178C Nikkaji
115044-73-0 ACToR
The data in this table is sourced from UniChem at EBI.