CID 5078686

2-chloroethyl n-(2-chlorophenyl)carbamate

Structural Information

Molecular Formula

C₉H₉Cl₂NO₂

SMILES

C1=CC=C(C(=C1)NC(=O)OCCCl)Cl

InChI

InChI=1S/C9H9Cl2NO2/c10-5-6-14-9(13)12-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H,12,13)

InChIKey

VRBJYIKZFMXHKJ-UHFFFAOYSA-N

Compound name

2-chloroethyl N-(2-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.00104 Da
Monoisotopic Mass: 2.7
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]+	234.008316	145.4
[M+Na]+	255.990258	154.2
[M-H]-	231.993764	148.6
[M+NH4]+	251.034863	164.5
[M+K]+	271.964198	149.6
[M+H-H2O]+	215.998300	141.2
[M+HCOO]-	277.999241	161.1
[M+CH3COO]-	292.014891	188.4
[M+Na-2H]-	253.975706	150.8
[M]+	233.00049142	149.5
[M]-	233.00158858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.