CID 49099

Carbamic acid, 2,2-dichloroethyl-, methyl ester

Structural Information

Molecular Formula
C4H7Cl2NO2
SMILES
COC(=O)NCC(Cl)Cl
InChI
InChI=1S/C4H7Cl2NO2/c1-9-4(8)7-2-3(5)6/h3H,2H2,1H3,(H,7,8)
InChIKey
UXQJWCPILRWLLL-UHFFFAOYSA-N
Compound name
methyl N-(2,2-dichloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.98538 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99266 130.1
[M+Na]+ 193.97460 138.3
[M-H]- 169.97810 130.2
[M+NH4]+ 189.01920 151.5
[M+K]+ 209.94854 135.9
[M+H-H2O]+ 153.98264 127.5
[M+HCOO]- 215.98358 144.8
[M+CH3COO]- 229.99923 178.1
[M+Na-2H]- 191.96005 134.8
[M]+ 170.98483 133.2
[M]- 170.98593 133.2
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.