CID 135742198

3-chloroisoquinolin-6-ol

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=CN=C(C=C2C=C1O)Cl
InChI
InChI=1S/C9H6ClNO/c10-9-4-7-3-8(12)2-1-6(7)5-11-9/h1-5,12H
InChIKey
UGPQRQFIFJTENM-UHFFFAOYSA-N
Compound name
3-chloroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

179.0138 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 131.6
[M+Na]+ 202.00302 148.1
[M+NH4]+ 197.04762 141.8
[M+K]+ 217.97696 140.0
[M-H]- 178.00652 134.6
[M+Na-2H]- 199.98847 140.3
[M]+ 179.01325 135.3
[M]- 179.01435 135.3
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