Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H9ClN2S/c1-8-2-3-10-11(6-8)17-13(16-10)9-4-5-15-12(14)7-9/h2-7H,1H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccnc(c1)Cl
InChI Key	ORVHFNYZXLMSAN-UHFFFAOYSA-N
Molecular Formula	C13H9ClN2S
Exact Mass	260.742 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/ORVHFNYZXLMSAN-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:35:09.092269
MetadataModified	2024-09-07T17:10:19.089017
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145944367	PubChem
The data in this table is sourced from UniChem at EBI.