CID 1375579

23530-19-0

Structural Information

Molecular Formula

C₅H₃Cl₃N₂O

SMILES

C(C(=O)NC(=C(Cl)Cl)C#N)Cl

InChI

InChI=1S/C5H3Cl3N2O/c6-1-4(11)10-3(2-9)5(7)8/h1H2,(H,10,11)

InChIKey

XLBHIDXDGGJQJZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,2-dichloro-1-cyanoethenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.93109 Da
Monoisotopic Mass: 1.7
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]+	212.93837	141.9
[M+Na]+	234.92031	151.9
[M-H]-	210.92381	141.7
[M+NH4]+	229.96491	159.6
[M+K]+	250.89425	147.1
[M+H-H2O]+	194.92835	133.9
[M+HCOO]-	256.92929	148.2
[M+CH3COO]-	270.94494	197.4
[M+Na-2H]-	232.90576	143.8
[M]+	211.93054	138.0
[M]-	211.93164	138.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.