CID 4245949

6,8-dichloro-2-methylquinolin-4-ol

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO

SMILES

CC1=CC(=O)C2=C(N1)C(=CC(=C2)Cl)Cl

InChI

InChI=1S/C10H7Cl2NO/c1-5-2-9(14)7-3-6(11)4-8(12)10(7)13-5/h2-4H,1H3,(H,13,14)

InChIKey

VNMHNSLATBRUIG-UHFFFAOYSA-N

Compound name

6,8-dichloro-2-methyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.99046 Da
Monoisotopic Mass: 3.2
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]+	227.997736	140.8
[M+Na]+	249.979678	153.9
[M-H]-	225.983184	143.0
[M+NH4]+	245.024283	160.3
[M+K]+	265.953618	147.0
[M+H-H2O]+	209.987720	136.5
[M+HCOO]-	271.988661	152.8
[M+CH3COO]-	286.004311	154.3
[M+Na-2H]-	247.965126	147.3
[M]+	226.98991142	144.0
[M]-	226.99100858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe