CID 1646647

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 144.8
[M+Na]+ 233.04520 156.5
[M+NH4]+ 228.08980 152.9
[M+K]+ 249.01914 149.4
[M-H]- 209.04870 147.5
[M+Na-2H]- 231.03065 151.4
[M]+ 210.05543 147.3
[M]- 210.05653 147.3
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.