CID 2431650

3-(2-chloroacetyl)-1-[(furan-2-yl)methyl]urea

Structural Information

Molecular Formula
C8H9ClN2O3
SMILES
C1=COC(=C1)CNC(=O)NC(=O)CCl
InChI
InChI=1S/C8H9ClN2O3/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13)
InChIKey
IJQKDRYBONCCSH-UHFFFAOYSA-N
Compound name
2-chloro-N-(furan-2-ylmethylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.03017 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03745 146.8
[M+Na]+ 239.01939 153.6
[M-H]- 215.02289 151.0
[M+NH4]+ 234.06399 165.8
[M+K]+ 254.99333 152.0
[M+H-H2O]+ 199.02743 141.2
[M+HCOO]- 261.02837 167.9
[M+CH3COO]- 275.04402 186.1
[M+Na-2H]- 237.00484 151.7
[M]+ 216.02962 149.4
[M]- 216.03072 149.4
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

patents stripe