CID 22078

2-(3-chlorophenoxy)propionamide

Structural Information

Molecular Formula

C₉H₁₀ClNO₂

SMILES

CC(C(=O)N)OC1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H10ClNO2/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H2,11,12)

InChIKey

QVTINYNCTADMES-UHFFFAOYSA-N

Compound name

2-(3-chlorophenoxy)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 199.04001 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]+	200.04729	139.5
[M+Na]+	222.02923	151.5
[M+NH4]+	217.07383	147.6
[M+K]+	238.00317	146.0
[M-H]-	198.03273	141.3
[M+Na-2H]-	220.01468	145.6
[M]+	199.03946	141.8
[M]-	199.04056	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe