CID 4277664

1-allyl-3-(2-chlorophenyl)urea

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C=CCNC(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C10H11ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h2-6H,1,7H2,(H2,12,13,14)
InChIKey
AWTCJUDXLFXAQY-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 145.2
[M+Na]+ 233.045198 152.6
[M-H]- 209.048704 148.7
[M+NH4]+ 228.089803 164.4
[M+K]+ 249.019138 148.1
[M+H-H2O]+ 193.053240 139.7
[M+HCOO]- 255.054181 166.5
[M+CH3COO]- 269.069831 188.8
[M+Na-2H]- 231.030646 150.8
[M]+ 210.05543142 145.6
[M]- 210.05652858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.