CID 82573749

6-chloroisoquinoline-1-carbaldehyde

Structural Information

Molecular Formula
C10H6ClNO
SMILES
C1=CC2=C(C=CN=C2C=O)C=C1Cl
InChI
InChI=1S/C10H6ClNO/c11-8-1-2-9-7(5-8)3-4-12-10(9)6-13/h1-6H
InChIKey
YEXAAUPVBQXJPF-UHFFFAOYSA-N
Compound name
6-chloroisoquinoline-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0138 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02108 134.6
[M+Na]+ 214.00302 146.1
[M-H]- 190.00652 138.2
[M+NH4]+ 209.04762 155.2
[M+K]+ 229.97696 141.1
[M+H-H2O]+ 174.01106 128.8
[M+HCOO]- 236.01200 153.3
[M+CH3COO]- 250.02765 148.9
[M+Na-2H]- 211.98847 143.8
[M]+ 191.01325 137.7
[M]- 191.01435 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.