CID 494080

1-(4-bromophenyl)-2-(triphenylphosphoranyl)ethanone

Structural Information

Molecular Formula
C26H21BrOP
SMILES
C1=CC=C(C=C1)[P+](CC(=O)C2=CC=C(C=C2)Br)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21BrOP/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChIKey
CCJMJOAAOMAILO-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

459.05133 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.05861 222.6
[M+Na]+ 482.04055 228.4
[M-H]- 458.04405 234.6
[M+NH4]+ 477.08515 233.3
[M+K]+ 498.01449 210.4
[M+H-H2O]+ 442.04859 218.9
[M+HCOO]- 504.04953 243.7
[M+CH3COO]- 518.06518 221.2
[M+Na-2H]- 480.02600 224.4
[M]+ 459.05078 237.8
[M]- 459.05188 237.8
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