CID 44267212

61431-04-7

Structural Information

Molecular Formula

C₁₅H₉ClN₂O₂

SMILES

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

InChI

InChI=1S/C15H9ClN2O2/c16-11-13(18-9-5-2-1-3-6-9)15(20)12-10(14(11)19)7-4-8-17-12/h1-8,18H

InChIKey

BOMIBDRSQWKVIF-UHFFFAOYSA-N

Compound name

7-anilino-6-chloroquinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 284.03525 Da
Monoisotopic Mass: 3.3
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]+	285.04253	160.5
[M+Na]+	307.02447	171.1
[M-H]-	283.02797	167.2
[M+NH4]+	302.06907	176.6
[M+K]+	322.99841	164.6
[M+H-H2O]+	267.03251	152.6
[M+HCOO]-	329.03345	178.7
[M+CH3COO]-	343.04910	172.9
[M+Na-2H]-	305.00992	167.3
[M]+	284.03470	162.3
[M]-	284.03580	162.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.