CID 989419

1-(4-bromophenyl)-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C13H9BrCl2N2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br
InChI
InChI=1S/C13H9BrCl2N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
InChIKey
UAIMUBVKASOQQV-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.92752 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.93480 169.0
[M+Na]+ 380.91674 174.6
[M+NH4]+ 375.96134 174.2
[M+K]+ 396.89068 172.0
[M-H]- 356.92024 172.5
[M+Na-2H]- 378.90219 174.6
[M]+ 357.92697 170.2
[M]- 357.92807 170.2
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.