Spectrum CCMSLIB00000224014 for 1-(4-fluorophenyl)isoquinoline

Rating: (*)★(*)★(*)★(*)☆( )☆

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C15H10FN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-10H
C15H10FN
223.07972754
FC=1C=CC(=CC1)C2=NC=CC=3C=CC=CC32
JGQQLQAYZXPOJS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Other
qTof
223.08
1
f.danieldemarque/NA_51.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Giuliano Clososki, Daniel Demarque
positive
1.6667552848375033
0.5001959752914047
224.0
[M+H]+
391.5068749999711 ppm
-0.08769753999999352 Da