Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H9F3N2O2/c14-13(15,16)12-18-10(11(19)20-12)5-7-6-17-9-4-2-1-3-8(7)9/h1-4,6,12,17H,5H2
SMILES	O=C1OC(N=C1Cc1c[nH]c2c1cccc2)C(F)(F)F
InChI Key	RVJKVXTWANQDII-UHFFFAOYSA-N
Molecular Formula	C13H9F3N2O2
Exact Mass	282.218 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/RVJKVXTWANQDII-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RVJKVXTWANQDII-UHFFFAOYSA-N/CHMO0000470
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:47:40.647456
MetadataModified	2024-09-07T16:07:43.259311
MetadataPublished	2019-09-02

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14409724	PubChem
The data in this table is sourced from UniChem at EBI.