CID 233830

6092-47-3

Structural Information

Molecular Formula
C5H8ClNO3
SMILES
CCOC(=O)NC(=O)CCl
InChI
InChI=1S/C5H8ClNO3/c1-2-10-5(9)7-4(8)3-6/h2-3H2,1H3,(H,7,8,9)
InChIKey
WMKXMEBGSGFRMT-UHFFFAOYSA-N
Compound name
ethyl N-(2-chloroacetyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

165.01927 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02655 130.7
[M+Na]+ 188.00849 138.6
[M-H]- 164.01199 131.3
[M+NH4]+ 183.05309 152.0
[M+K]+ 203.98243 137.5
[M+H-H2O]+ 148.01653 127.0
[M+HCOO]- 210.01747 150.6
[M+CH3COO]- 224.03312 176.6
[M+Na-2H]- 185.99394 135.7
[M]+ 165.01872 134.1
[M]- 165.01982 134.1
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