Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-6-12-11(7-9)18-13(20-12)8-1-4-10(19)5-2-8/h1-7,19H
SMILES	Oc1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key	JFDRLDCIZJRMON-UHFFFAOYSA-N
Molecular Formula	C14H8F3NOS
Exact Mass	295.280 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/JFDRLDCIZJRMON-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JFDRLDCIZJRMON-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Wagner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:29:24.088788
MetadataModified	2024-09-07T17:02:54.935705
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL456993	ChEMBL
ZINC000001663736	ZINC
404999	PubChem
SCHEMBL4804958	SureChEMBL
2873053	eMolecules
MCULE-6910021810	Mcule
The data in this table is sourced from UniChem at EBI.