CID 16226966

2-chloro-n-(2-chlorophenyl)propanamide

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

CC(C(=O)NC1=CC=CC=C1Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c1-6(10)9(13)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13)

InChIKey

DFYYFDYUOVGYGP-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chlorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.00612 Da
Monoisotopic Mass: 2.3
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]+	218.01340	142.7
[M+Na]+	239.99534	156.0
[M+NH4]+	235.03994	151.7
[M+K]+	255.96928	149.0
[M-H]-	215.99884	145.1
[M+Na-2H]-	237.98079	149.7
[M]+	217.00557	145.8
[M]-	217.00667	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe