CID 4961790

6-(2-chloroacetyl)-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCl

InChI

InChI=1S/C11H10ClNO2/c12-6-10(14)8-1-3-9-7(5-8)2-4-11(15)13-9/h1,3,5H,2,4,6H2,(H,13,15)

InChIKey

SUKDPTKEKHZBDT-UHFFFAOYSA-N

Compound name

6-(2-chloroacetyl)-3,4-dihydro-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 223.04001 Da
Monoisotopic Mass: 1.4
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]+	224.047286	144.6
[M+Na]+	246.029228	153.0
[M-H]-	222.032734	146.1
[M+NH4]+	241.073833	162.8
[M+K]+	262.003168	147.8
[M+H-H2O]+	206.037270	139.1
[M+HCOO]-	268.038211	158.0
[M+CH3COO]-	282.053861	184.9
[M+Na-2H]-	244.014676	149.6
[M]+	223.03946142	143.5
[M]-	223.04055858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe