CID 765466

1-(2-bromophenyl)-3-phenylurea

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2Br
InChI
InChI=1S/C13H11BrN2O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKey
LCOWZPIPSUYVOG-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

14
Patents

290.0055 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 156.2
[M+Na]+ 312.99472 165.1
[M-H]- 288.99822 165.0
[M+NH4]+ 308.03932 174.3
[M+K]+ 328.96866 153.0
[M+H-H2O]+ 273.00276 154.1
[M+HCOO]- 335.00370 179.5
[M+CH3COO]- 349.01935 200.0
[M+Na-2H]- 310.98017 164.1
[M]+ 290.00495 172.4
[M]- 290.00605 172.4
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