CID 16530

N-(3,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₇Cl₂NO

SMILES

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

InChI

InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)

InChIKey

SCYGGCAQZFJGRF-UHFFFAOYSA-N

Compound name

N-(3,4-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 98
Patents: 202.99046 Da
Monoisotopic Mass: 3.2
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]+	203.99774	137.6
[M+Na]+	225.97968	151.8
[M+NH4]+	221.02428	146.9
[M+K]+	241.95362	144.5
[M-H]-	201.98318	140.3
[M+Na-2H]-	223.96513	145.1
[M]+	202.98991	141.0
[M]-	202.99101	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe