CID 49097

2,2-dichloroethylcarbamic acid butyl ester

Structural Information

Molecular Formula
C7H13Cl2NO2
SMILES
CCCCOC(=O)NCC(Cl)Cl
InChI
InChI=1S/C7H13Cl2NO2/c1-2-3-4-12-7(11)10-5-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKey
GDQLPESNAZVUEC-UHFFFAOYSA-N
Compound name
butyl N-(2,2-dichloroethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03233 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03961 142.6
[M+Na]+ 236.02155 152.4
[M+NH4]+ 231.06615 149.9
[M+K]+ 251.99549 146.8
[M-H]- 212.02505 141.6
[M+Na-2H]- 234.00700 145.6
[M]+ 213.03178 144.0
[M]- 213.03288 144.0
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.