CID 135687118

Dtxsid801009253

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₃

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)O

InChI

InChI=1S/C16H10ClNO3/c17-10-6-7-12-11(8-10)15(20)13(16(21)18-12)14(19)9-4-2-1-3-5-9/h1-8H,(H2,18,20,21)

InChIKey

UHRUMFFSVJFFGW-UHFFFAOYSA-N

Compound name

3-benzoyl-6-chloro-4-hydroxy-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 299.0349 Da
Monoisotopic Mass: 3.4
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]+	300.042176	162.7
[M+Na]+	322.024118	173.4
[M-H]-	298.027624	167.1
[M+NH4]+	317.068723	177.2
[M+K]+	337.998058	166.2
[M+H-H2O]+	282.032160	155.7
[M+HCOO]-	344.033101	177.2
[M+CH3COO]-	358.048751	174.3
[M+Na-2H]-	320.009566	167.6
[M]+	299.03435142	164.3
[M]-	299.03544858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe