CID 3052677

Urea, 1-acetyl-3-(2,2-dichloroethyl)-

Structural Information

Molecular Formula
C5H8Cl2N2O2
SMILES
CC(=O)NC(=O)NCC(Cl)Cl
InChI
InChI=1S/C5H8Cl2N2O2/c1-3(10)9-5(11)8-2-4(6)7/h4H,2H2,1H3,(H2,8,9,10,11)
InChIKey
GXLHOKYERUGEFU-UHFFFAOYSA-N
Compound name
N-(2,2-dichloroethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99628 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00356 139.0
[M+Na]+ 220.98550 146.1
[M-H]- 196.98900 139.0
[M+NH4]+ 216.03010 158.9
[M+K]+ 236.95944 143.2
[M+H-H2O]+ 180.99354 136.0
[M+HCOO]- 242.99448 153.7
[M+CH3COO]- 257.01013 185.2
[M+Na-2H]- 218.97095 142.0
[M]+ 197.99573 140.4
[M]- 197.99683 140.4
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.