CID 15969

Methyl n-(3,4-dichlorophenyl)carbamate

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

2
References

8701
Patents

218.98538 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe