CID 43882

2,3-dichlorobenzyl methylcarbamate

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
CNC(=O)OCC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2NO2/c1-12-9(13)14-5-6-3-2-4-7(10)8(6)11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
SESJCOBCXSACPH-UHFFFAOYSA-N
Compound name
(2,3-dichlorophenyl)methyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

147
Patents

233.00104 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.008316 145.1
[M+Na]+ 255.990258 154.8
[M-H]- 231.993764 148.6
[M+NH4]+ 251.034863 164.5
[M+K]+ 271.964198 150.2
[M+H-H2O]+ 215.998300 141.2
[M+HCOO]- 277.999241 160.8
[M+CH3COO]- 292.014891 189.6
[M+Na-2H]- 253.975706 149.7
[M]+ 233.00049142 149.5
[M]- 233.00158858 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

literature stripe

Patent stripe

patents stripe