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 150.0
[M+Na]+ 239.05578 156.1
[M-H]- 215.05928 153.9
[M+NH4]+ 234.10038 169.0
[M+K]+ 255.02972 154.3
[M+H-H2O]+ 199.06382 144.3
[M+HCOO]- 261.06476 170.3
[M+CH3COO]- 275.08041 188.5
[M+Na-2H]- 237.04123 154.2
[M]+ 216.06601 152.3
[M]- 216.06711 152.3
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.