CID 3397485

Methyl n-(2,3-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C8H7Cl2NO2
SMILES
COC(=O)NC1=C(C(=CC=C1)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-6-4-2-3-5(9)7(6)10/h2-4H,1H3,(H,11,12)
InChIKey
VGWCYRNUEOCZDU-UHFFFAOYSA-N
Compound name
methyl N-(2,3-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.98538 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.99266 140.4
[M+Na]+ 241.97460 150.5
[M-H]- 217.97810 144.1
[M+NH4]+ 237.01920 160.4
[M+K]+ 257.94854 146.2
[M+H-H2O]+ 201.98264 136.7
[M+HCOO]- 263.98358 156.4
[M+CH3COO]- 277.99923 186.6
[M+Na-2H]- 239.96005 145.6
[M]+ 218.98483 144.5
[M]- 218.98593 144.5
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

patents stripe