CID 518783

Methyl n-(2-chloroacetyl)carbamate

Structural Information

Molecular Formula
C4H6ClNO3
SMILES
COC(=O)NC(=O)CCl
InChI
InChI=1S/C4H6ClNO3/c1-9-4(8)6-3(7)2-5/h2H2,1H3,(H,6,7,8)
InChIKey
SYWSERLZKPGKDI-UHFFFAOYSA-N
Compound name
methyl N-(2-chloroacetyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

151.00362 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01090 126.0
[M+Na]+ 173.99284 134.3
[M-H]- 149.99634 126.8
[M+NH4]+ 169.03744 147.8
[M+K]+ 189.96678 133.4
[M+H-H2O]+ 134.00088 122.5
[M+HCOO]- 196.00182 146.2
[M+CH3COO]- 210.01747 173.6
[M+Na-2H]- 171.97829 131.5
[M]+ 151.00307 129.0
[M]- 151.00417 129.0
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