CID 13342169

3-(chloromethyl)-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)CCl

InChI

InChI=1S/C10H8ClNO/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,6H2,(H,12,13)

InChIKey

KLQZGMXIVAVSIE-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 193.02943 Da
Monoisotopic Mass: 1.7
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	135.5
[M+Na]+	216.018648	146.5
[M-H]-	192.022154	137.7
[M+NH4]+	211.063253	155.3
[M+K]+	231.992588	140.6
[M+H-H2O]+	176.026690	130.1
[M+HCOO]-	238.027631	152.6
[M+CH3COO]-	252.043281	149.1
[M+Na-2H]-	214.004096	144.2
[M]+	193.02888142	136.7
[M]-	193.02997858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe