CID 102536773

N-(2,2-dichloro-1-cyanoethenyl)prop-2-enamide

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O

SMILES

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

InChI

InChI=1S/C6H4Cl2N2O/c1-2-5(11)10-4(3-9)6(7)8/h2H,1H2,(H,10,11)

InChIKey

VXFQLWPCCOBYIH-UHFFFAOYSA-N

Compound name

N-(2,2-dichloro-1-cyanoethenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.97006 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]+	190.977336	140.2
[M+Na]+	212.959278	150.0
[M-H]-	188.962784	140.7
[M+NH4]+	208.003883	158.6
[M+K]+	228.933218	145.6
[M+H-H2O]+	172.967320	131.0
[M+HCOO]-	234.968261	151.0
[M+CH3COO]-	248.983911	194.3
[M+Na-2H]-	210.944726	142.4
[M]+	189.96951142	135.8
[M]-	189.97060858	135.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.