CID 1590833

1-allyl-3-(4-chlorophenyl)urea

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C=CCNC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H2,12,13,14)
InChIKey
IXOORKMHZKVPBC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

210.05598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 145.2
[M+Na]+ 233.04520 152.6
[M-H]- 209.04870 148.7
[M+NH4]+ 228.08980 164.4
[M+K]+ 249.01914 148.1
[M+H-H2O]+ 193.05324 139.7
[M+HCOO]- 255.05418 166.5
[M+CH3COO]- 269.06983 188.8
[M+Na-2H]- 231.03065 150.8
[M]+ 210.05543 145.6
[M]- 210.05653 145.6
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

No patent data available for this compound.