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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00832 145.4
[M+Na]+ 255.99026 154.2
[M-H]- 231.99376 148.6
[M+NH4]+ 251.03486 164.5
[M+K]+ 271.96420 149.6
[M+H-H2O]+ 215.99830 141.2
[M+HCOO]- 277.99924 161.1
[M+CH3COO]- 292.01489 188.4
[M+Na-2H]- 253.97571 150.8
[M]+ 233.00049 149.5
[M]- 233.00159 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.