CID 135729083

4-chloroquinolin-7-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

179.0138 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 131.4
[M+Na]+ 202.00302 142.6
[M-H]- 178.00652 133.8
[M+NH4]+ 197.04762 151.8
[M+K]+ 217.97696 137.5
[M+H-H2O]+ 162.01106 126.1
[M+HCOO]- 224.01200 148.7
[M+CH3COO]- 238.02765 145.4
[M+Na-2H]- 199.98847 140.7
[M]+ 179.01325 133.0
[M]- 179.01435 133.0
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

patents stripe