CID 236926

4-chloro-1-methylquinolin-2(1h)-one

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

CN1C2=CC=CC=C2C(=CC1=O)Cl

InChI

InChI=1S/C10H8ClNO/c1-12-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-6H,1H3

InChIKey

DCBIIUKJSLGVIH-UHFFFAOYSA-N

Compound name

4-chloro-1-methylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 33
Patents: 193.02943 Da
Monoisotopic Mass: 1.9
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]+	194.03671	135.1
[M+Na]+	216.01865	152.3
[M+NH4]+	211.06325	145.2
[M+K]+	231.99259	143.7
[M-H]-	192.02215	138.3
[M+Na-2H]-	214.00410	143.7
[M]+	193.02888	139.0
[M]-	193.02998	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe