CID 379655

1-(2-bromoallyl)-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C10H9BrCl2N2O
SMILES
C=C(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)Br
InChI
InChI=1S/C10H9BrCl2N2O/c1-6(11)5-14-10(16)15-7-2-3-8(12)9(13)4-7/h2-4H,1,5H2,(H2,14,15,16)
InChIKey
IAADVFXQPMIOMV-UHFFFAOYSA-N
Compound name
1-(2-bromoprop-2-enyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.92752 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.93480 158.7
[M+Na]+ 344.91674 170.4
[M-H]- 320.92024 164.3
[M+NH4]+ 339.96134 177.6
[M+K]+ 360.89068 155.2
[M+H-H2O]+ 304.92478 159.1
[M+HCOO]- 366.92572 171.6
[M+CH3COO]- 380.94137 204.3
[M+Na-2H]- 342.90219 162.8
[M]+ 321.92697 178.0
[M]- 321.92807 178.0
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.