CID 1529004

N-(2,2-dichloroethenyl)acetamide

Structural Information

Molecular Formula

C₄H₅Cl₂NO

SMILES

CC(=O)NC=C(Cl)Cl

InChI

InChI=1S/C4H5Cl2NO/c1-3(8)7-2-4(5)6/h2H,1H3,(H,7,8)

InChIKey

DMLVNIAMNAGQAB-UHFFFAOYSA-N

Compound name

N-(2,2-dichloroethenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 152.97482 Da
Monoisotopic Mass: 1.1
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]+	153.98210	126.3
[M+Na]+	175.96404	137.2
[M+NH4]+	171.00864	134.4
[M+K]+	191.93798	131.6
[M-H]-	151.96754	125.7
[M+Na-2H]-	173.94949	130.4
[M]+	152.97427	127.9
[M]-	152.97537	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe