CID 307970

Ethyl n-(1-cyano-2,2-dichlorovinyl)carbamate

Structural Information

Molecular Formula

C₆H₆Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C6H6Cl2N2O2/c1-2-12-6(11)10-4(3-9)5(7)8/h2H2,1H3,(H,10,11)

InChIKey

KPGACQTVHFXIIR-UHFFFAOYSA-N

Compound name

ethyl N-(2,2-dichloro-1-cyanoethenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.98064 Da
Monoisotopic Mass: 1.8
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]+	208.98792	141.6
[M+Na]+	230.96986	151.2
[M-H]-	206.97336	142.2
[M+NH4]+	226.01446	159.5
[M+K]+	246.94380	147.9
[M+H-H2O]+	190.97790	132.3
[M+HCOO]-	252.97884	152.7
[M+CH3COO]-	266.99449	196.3
[M+Na-2H]-	228.95531	144.0
[M]+	207.98009	139.1
[M]-	207.98119	139.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.