CID 18433132

148018-29-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

179.0138 Da
Monoisotopic Mass

2.5
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

literature stripe

Patent stripe

patents stripe