Dataset

Floctafenic acid; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001492 contains the MS mass spectrum of Floctafenic acid with the InChIkey RGUIKQRAZCQMBM-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24/h1-9H,(H,21,22)(H,23,24)
SMILES	OC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)c(cc1)C(F)(F)F
InChI Key	RGUIKQRAZCQMBM-UHFFFAOYSA-N
Molecular Formula	C17H11F3N2O2
Exact Mass	332.077 g/mol

Data and Resources

Floctafenic acidHTML

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Related Molecule ⌄

2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001492
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3501677	surechembl
37541	pubchem
K9D19L5WTV	fdasrs
HMDB0252309	hmdb
DTXSID60190254	comptox
Molport-030-086-592	molport
The data in this table is sourced from UniChem at EBI.