Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H7F3N2O2S/c15-14(16,17)9-3-6-12-11(7-9)18-13(22-12)8-1-4-10(5-2-8)19(20)21/h1-7H
SMILES	[O-][N+](=O)c1ccc(cc1)c1nc2c(s1)ccc(c2)C(F)(F)F
InChI Key	NOWQHDRUEYRYJH-UHFFFAOYSA-N
Molecular Formula	C14H7F3N2O2S
Exact Mass	324.278 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/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NOWQHDRUEYRYJH-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:32:18.448287
MetadataModified	2024-09-07T17:06:27.324883
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453860	PubChem
The data in this table is sourced from UniChem at EBI.