CID 137698938

6-chloroisoquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CN=CC2=C(C=C(C=C21)Cl)C(=O)O
InChI
InChI=1S/C10H6ClNO2/c11-7-3-6-1-2-12-5-9(6)8(4-7)10(13)14/h1-5H,(H,13,14)
InChIKey
QYZHSQILMLLFGB-UHFFFAOYSA-N
Compound name
6-chloroisoquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.00871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 138.5
[M+Na]+ 229.99793 154.0
[M+NH4]+ 225.04253 147.6
[M+K]+ 245.97187 146.9
[M-H]- 206.00143 140.5
[M+Na-2H]- 227.98338 146.0
[M]+ 207.00816 141.6
[M]- 207.00926 141.6
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.