CID 293541

Urea, 1-(o-allylphenyl)-3-(2-chloroethyl)-

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C=CCC1=CC=CC=C1NC(=O)NCCCl
InChI
InChI=1S/C12H15ClN2O/c1-2-5-10-6-3-4-7-11(10)15-12(16)14-9-8-13/h2-4,6-7H,1,5,8-9H2,(H2,14,15,16)
InChIKey
GVPRVQMWAGIIMZ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-prop-2-enylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.0873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 154.4
[M+Na]+ 261.07652 160.9
[M-H]- 237.08002 157.5
[M+NH4]+ 256.12112 172.4
[M+K]+ 277.05046 155.9
[M+H-H2O]+ 221.08456 148.5
[M+HCOO]- 283.08550 175.1
[M+CH3COO]- 297.10115 194.9
[M+Na-2H]- 259.06197 159.0
[M]+ 238.08675 155.5
[M]- 238.08785 155.5
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