Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H8ClNS/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H
SMILES	Clc1ccc2c(c1)nc(s2)c1ccccc1
InChI Key	SVTDXKPYBJXBJR-UHFFFAOYSA-N
Molecular Formula	C13H8ClNS
Exact Mass	245.727 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SVTDXKPYBJXBJR-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/SVTDXKPYBJXBJR-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:35:37.491180
MetadataModified	2024-09-07T17:11:11.984231
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
345180	PubChem
952-16-9	ACToR
16326414	PubChem: Thomson Pharma
ZINC000001595023	ZINC
MCULE-7466298439	Mcule
DTXSID80322979	EPA CompTox Dashboard
QEDQIB	CCDC
J1.448.546E	Nikkaji
The data in this table is sourced from UniChem at EBI.