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 167.0
[M+Na]+ 380.91674 179.3
[M-H]- 356.92024 175.6
[M+NH4]+ 375.96134 184.5
[M+K]+ 396.89068 164.1
[M+H-H2O]+ 340.92478 166.6
[M+HCOO]- 402.92572 181.1
[M+CH3COO]- 416.94137 209.6
[M+Na-2H]- 378.90219 172.5
[M]+ 357.92697 187.1
[M]- 357.92807 187.1
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.