CID 302780

1-(4-bromophenyl)-3-(2-chlorophenyl)urea

Structural Information

Molecular Formula
C13H10BrClN2O
SMILES
C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C13H10BrClN2O/c14-9-5-7-10(8-6-9)16-13(18)17-12-4-2-1-3-11(12)15/h1-8H,(H2,16,17,18)
InChIKey
NYAZLGCEBGXYEJ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(2-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.9665 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.97378 162.3
[M+Na]+ 346.95572 167.0
[M+NH4]+ 342.00032 167.5
[M+K]+ 362.92966 165.1
[M-H]- 322.95922 166.0
[M+Na-2H]- 344.94117 168.3
[M]+ 323.96595 163.1
[M]- 323.96705 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.