CID 11401613

4-chlorobenzo[f]isoquinoline

Structural Information

Molecular Formula
C13H8ClN
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CN=C3Cl
InChI
InChI=1S/C13H8ClN/c14-13-12-6-5-9-3-1-2-4-10(9)11(12)7-8-15-13/h1-8H
InChIKey
SHQLTRRYZVBEMR-UHFFFAOYSA-N
Compound name
4-chlorobenzo[f]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

96
Patents

213.03453 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04181 141.1
[M+Na]+ 236.02375 160.7
[M+NH4]+ 231.06835 152.9
[M+K]+ 251.99769 150.0
[M-H]- 212.02725 146.4
[M+Na-2H]- 234.00920 152.1
[M]+ 213.03398 146.2
[M]- 213.03508 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe