CID 15598987

121221-07-6

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

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

InChI

InChI=1S/C11H9ClN2O/c12-6-11(15)14-9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7H,6H2,(H,14,15)

InChIKey

GDGMXFPYPJHPSM-UHFFFAOYSA-N

Compound name

2-chloro-N-quinolin-3-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 220.04034 Da
Monoisotopic Mass: 2.5
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]+	221.04762	144.2
[M+Na]+	243.02956	158.8
[M+NH4]+	238.07416	153.5
[M+K]+	259.00350	150.8
[M-H]-	219.03306	147.3
[M+Na-2H]-	241.01501	152.3
[M]+	220.03979	147.5
[M]-	220.04089	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe