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: 33
Patents: 195.00871 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.015986	134.1
[M+Na]+	217.997928	146.0
[M-H]-	194.001434	135.6
[M+NH4]+	213.042533	153.4
[M+K]+	233.971868	140.1
[M+H-H2O]+	178.005970	129.4
[M+HCOO]-	240.006911	150.3
[M+CH3COO]-	254.022561	147.7
[M+Na-2H]-	215.983376	142.2
[M]+	195.00816142	135.1
[M]-	195.00925858	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe