CID 14437404

2-chloro-n-(3,4-dichlorophenyl)propanamide

Structural Information

Molecular Formula

C₉H₈Cl₃NO

SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)Cl

InChI

InChI=1S/C9H8Cl3NO/c1-5(10)9(14)13-6-2-3-7(11)8(12)4-6/h2-5H,1H3,(H,13,14)

InChIKey

DAFPFECFVGRHLA-UHFFFAOYSA-N

Compound name

2-chloro-N-(3,4-dichlorophenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.96715 Da
Monoisotopic Mass: 3.7
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]+	251.97443	149.6
[M+Na]+	273.95637	163.3
[M+NH4]+	269.00097	158.3
[M+K]+	289.93031	155.9
[M-H]-	249.95987	151.6
[M+Na-2H]-	271.94182	156.0
[M]+	250.96660	153.0
[M]-	250.96770	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe