Dataset

Benflurorex; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001621 contains the MS mass spectrum of Benflurorex with the InChIkey CJAVTWRYCDNHSM-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3
SMILES	CC(NCCOC(=O)c(c2)cccc2)Cc(c1)cc(cc1)C(F)(F)F
InChI Key	CJAVTWRYCDNHSM-UHFFFAOYSA-N
Molecular Formula	C19H20F3NO2
Exact Mass	351.145 g/mol

Data and Resources

BenflurorexHTML

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Related Molecule ⌄

2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001621
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB09022	drugbank
CHEBI:93826	chebi
CHEMBL400599	chembl
163648	surechembl
29824432	surechembl
2318	pubchem
403FO0NQG3	fdasrs
14184	gtopdb
PD009068	probes_and_drugs
HMDB0248949	hmdb
DTXSID5048471	comptox
NCT00544518	clinicaltrials
307	drugcentral
The data in this table is sourced from UniChem at EBI.