CID 26195

N,n-dichlorourethan

Structural Information

Molecular Formula

C₃H₅Cl₂NO₂

SMILES

CCOC(=O)N(Cl)Cl

InChI

InChI=1S/C3H5Cl2NO2/c1-2-8-3(7)6(4)5/h2H2,1H3

InChIKey

PCGGNOFZZFFFLU-UHFFFAOYSA-N

Compound name

ethyl N,N-dichlorocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 156.96973 Da
Monoisotopic Mass: 1.5
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]+	157.97701	124.9
[M+Na]+	179.95895	134.0
[M-H]-	155.96245	126.6
[M+NH4]+	175.00355	147.5
[M+K]+	195.93289	132.7
[M+H-H2O]+	139.96699	122.3
[M+HCOO]-	201.96793	141.4
[M+CH3COO]-	215.98358	177.8
[M+Na-2H]-	177.94440	130.7
[M]+	156.96918	129.6
[M]-	156.97028	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe