CID 5279447

5,8-quinolinedione, 2-chloro-4-methyl-

Structural Information

Molecular Formula

C₁₀H₆ClNO₂

SMILES

CC1=CC(=NC2=C1C(=O)C=CC2=O)Cl

InChI

InChI=1S/C10H6ClNO2/c1-5-4-8(11)12-10-7(14)3-2-6(13)9(5)10/h2-4H,1H3

InChIKey

VKVAWGYZXSHGNH-UHFFFAOYSA-N

Compound name

2-chloro-4-methylquinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 207.00871 Da
Monoisotopic Mass: 2.0
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]+	208.01599	137.4
[M+Na]+	229.99793	149.9
[M-H]-	206.00143	141.5
[M+NH4]+	225.04253	157.7
[M+K]+	245.97187	145.2
[M+H-H2O]+	190.00597	132.1
[M+HCOO]-	252.00691	155.0
[M+CH3COO]-	266.02256	185.5
[M+Na-2H]-	227.98338	144.2
[M]+	207.00816	140.6
[M]-	207.00926	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe