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: 29
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]+	194.036706	134.7
[M+Na]+	216.018648	147.1
[M-H]-	192.022154	138.8
[M+NH4]+	211.063253	155.6
[M+K]+	231.992588	142.2
[M+H-H2O]+	176.026690	129.2
[M+HCOO]-	238.027631	153.4
[M+CH3COO]-	252.043281	149.4
[M+Na-2H]-	214.004096	143.2
[M]+	193.02888142	138.2
[M]-	193.02997858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe