CID 730699

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

Structural Information

Molecular Formula
C13H10BrClN2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C13H10BrClN2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
VCJMGYXOIQQZSK-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

323.9665 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.973776 162.1
[M+Na]+ 346.955718 173.0
[M-H]- 322.959224 171.1
[M+NH4]+ 342.000323 180.2
[M+K]+ 362.929658 159.0
[M+H-H2O]+ 306.963760 160.9
[M+HCOO]- 368.964701 181.1
[M+CH3COO]- 382.980351 204.5
[M+Na-2H]- 344.941166 169.0
[M]+ 323.96595142 180.8
[M]- 323.96704858 180.8
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

patents stripe