CID 135442221

2-chloroquinolin-5-ol

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=CC(=N2)Cl)C(=C1)O
InChI
InChI=1S/C9H6ClNO/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h1-5,12H
InChIKey
MVDHRGKTFBOLDA-UHFFFAOYSA-N
Compound name
2-chloroquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

179.0138 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.021076 131.4
[M+Na]+ 202.003018 142.6
[M-H]- 178.006524 133.8
[M+NH4]+ 197.047623 151.8
[M+K]+ 217.976958 137.5
[M+H-H2O]+ 162.011060 126.1
[M+HCOO]- 224.012001 148.7
[M+CH3COO]- 238.027651 145.4
[M+Na-2H]- 199.988466 140.7
[M]+ 179.01325142 133.0
[M]- 179.01434858 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