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]+ 324.97378 162.1
[M+Na]+ 346.95572 173.0
[M-H]- 322.95922 171.1
[M+NH4]+ 342.00032 180.2
[M+K]+ 362.92966 159.0
[M+H-H2O]+ 306.96376 160.9
[M+HCOO]- 368.96470 181.1
[M+CH3COO]- 382.98035 204.5
[M+Na-2H]- 344.94117 169.0
[M]+ 323.96595 180.8
[M]- 323.96705 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