Spectrum CCMSLIB00000224026 for 1-(4-chlorophenyl)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/C15H10ClN/c16-13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-17-15/h1-10H
C15H10ClN
239.050177
ClC=1C=CC(=CC1)C2=NC=CC=3C=CC=CC32
HGJNRQMRLNGOJH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Other
qTof
239.05
1
f.danieldemarque/EM_82.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Giuliano Clososki, Daniel Demarque
positive
1.928696633144478
0.567064012086805
240.05
[M+H]+
33.938762757674226 ppm
-0.008146999999979698 Da