CID 98990

35357-52-9

Structural Information

Molecular Formula
C9H13ClN2O2
SMILES
CC(C1=CC=CO1)NC(=O)NCCCl
InChI
InChI=1S/C9H13ClN2O2/c1-7(8-3-2-6-14-8)12-9(13)11-5-4-10/h2-3,6-7H,4-5H2,1H3,(H2,11,12,13)
InChIKey
GVNVIVMTQBZAKT-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[1-(furan-2-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06656 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07384 147.9
[M+Na]+ 239.05578 156.8
[M+NH4]+ 234.10038 155.1
[M+K]+ 255.02972 153.7
[M-H]- 215.05928 150.3
[M+Na-2H]- 237.04123 151.8
[M]+ 216.06601 149.7
[M]- 216.06711 149.7
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.