CID 54705762

1677-36-7

Structural Information

Molecular Formula
C9H6ClNO2
SMILES
C1=CC2=C(C=C1Cl)C(=CC(=O)N2)O
InChI
InChI=1S/C9H6ClNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey
XLRWZGHILAGXMB-UHFFFAOYSA-N
Compound name
6-chloro-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

195.00871 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01599 134.1
[M+Na]+ 217.99793 146.0
[M-H]- 194.00143 135.6
[M+NH4]+ 213.04253 153.4
[M+K]+ 233.97187 140.1
[M+H-H2O]+ 178.00597 129.4
[M+HCOO]- 240.00691 150.3
[M+CH3COO]- 254.02256 147.7
[M+Na-2H]- 215.98338 142.2
[M]+ 195.00816 135.1
[M]- 195.00926 135.1
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