Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H8F3NS/c15-14(16,17)10-6-7-12-11(8-10)18-13(19-12)9-4-2-1-3-5-9/h1-8H
SMILES	FC(c1ccc2c(c1)nc(s2)c1ccccc1)(F)F
InChI Key	PDVSHXSSPVXJNH-UHFFFAOYSA-N
Molecular Formula	C14H8F3NS
Exact Mass	279.280 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/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/PDVSHXSSPVXJNH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:29:36.623397
MetadataModified	2024-09-07T17:03:11.582241
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
53836503	PubChem: Thomson Pharma
SCHEMBL2138665	SureChEMBL
23031916	PubChem
J2.632.156E	Nikkaji
The data in this table is sourced from UniChem at EBI.