CID 598833

1-(4-bromophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)
InChIKey
CWTGISFTGLOJOL-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

30
Patents

290.0055 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 155.8
[M+Na]+ 312.99472 159.4
[M+NH4]+ 308.03932 160.7
[M+K]+ 328.96866 158.2
[M-H]- 288.99822 159.4
[M+Na-2H]- 310.98017 162.0
[M]+ 290.00495 156.1
[M]- 290.00605 156.1
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

patents stripe