CID 220929

6-chloro-4-quinolinol

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=C1Cl)C(=O)C=CN2
InChI
InChI=1S/C9H6ClNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey
XXGUQCVVGPZTPF-UHFFFAOYSA-N
Compound name
6-chloro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

131
Patents

179.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 130.7
[M+Na]+ 202.00302 142.2
[M-H]- 178.00652 133.2
[M+NH4]+ 197.04762 151.2
[M+K]+ 217.97696 136.6
[M+H-H2O]+ 162.01106 125.6
[M+HCOO]- 224.01200 148.3
[M+CH3COO]- 238.02765 144.8
[M+Na-2H]- 199.98847 140.0
[M]+ 179.01325 131.7
[M]- 179.01435 131.7
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