CID 326646

6-chloro-2-hydroxyquinoline

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC2=C(C=CC(=O)N2)C=C1Cl
InChI
InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey
OJEBWFGRUPIVSD-UHFFFAOYSA-N
Compound name
6-chloro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

190
Patents

179.0138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.021076 130.7
[M+Na]+ 202.003018 142.2
[M-H]- 178.006524 133.2
[M+NH4]+ 197.047623 151.2
[M+K]+ 217.976958 136.6
[M+H-H2O]+ 162.011060 125.6
[M+HCOO]- 224.012001 148.2
[M+CH3COO]- 238.027651 144.8
[M+Na-2H]- 199.988466 140.0
[M]+ 179.01325142 131.7
[M]- 179.01434858 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