CID 84439

N-(2-benzoylphenyl)-2-bromoacetamide

Structural Information

Molecular Formula
C15H12BrNO2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CBr
InChI
InChI=1S/C15H12BrNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKey
HZQDHBGMMKYQDP-UHFFFAOYSA-N
Compound name
N-(2-benzoylphenyl)-2-bromoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

317.00513 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.012406 164.1
[M+Na]+ 339.994348 172.8
[M-H]- 315.997854 172.7
[M+NH4]+ 335.038953 181.2
[M+K]+ 355.968288 161.1
[M+H-H2O]+ 300.002390 162.2
[M+HCOO]- 362.003331 185.2
[M+CH3COO]- 376.018981 203.5
[M+Na-2H]- 337.979796 169.5
[M]+ 317.00458142 181.8
[M]- 317.00567858 181.8
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