CID 603626

Methyl n-(2,5-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)11-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H,11,12)
InChIKey
TXBKUCFNWHGXCP-UHFFFAOYSA-N
Compound name
methyl N-(2,5-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

218.98538 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.992656 140.4
[M+Na]+ 241.974598 150.5
[M-H]- 217.978104 144.1
[M+NH4]+ 237.019203 160.4
[M+K]+ 257.948538 146.2
[M+H-H2O]+ 201.982640 136.7
[M+HCOO]- 263.983581 156.4
[M+CH3COO]- 277.999231 186.6
[M+Na-2H]- 239.960046 145.6
[M]+ 218.98483142 144.5
[M]- 218.98592858 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