CID 78516

(2-chloroacetyl)urea

Structural Information

Molecular Formula
C3H5ClN2O2
SMILES
C(C(=O)NC(=O)N)Cl
InChI
InChI=1S/C3H5ClN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)
InChIKey
UIXTUDLFNOIGRA-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

497
Patents

136.00395 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01123 124.0
[M+Na]+ 158.99317 131.7
[M-H]- 134.99667 124.3
[M+NH4]+ 154.03777 145.7
[M+K]+ 174.96711 130.2
[M+H-H2O]+ 119.00121 120.3
[M+HCOO]- 181.00215 144.6
[M+CH3COO]- 195.01780 173.5
[M+Na-2H]- 156.97862 128.9
[M]+ 136.00340 123.3
[M]- 136.00450 123.3
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