CID 493981

1-phenyl-5-(triphenylphosphoranyl)-1-pentanone

Structural Information

Molecular Formula
C29H28OP
SMILES
C1=CC=C(C=C1)C(=O)CCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H28OP/c30-29(25-15-5-1-6-16-25)23-13-14-24-31(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/q+1
InChIKey
SVHPQBPOHOMHJX-UHFFFAOYSA-N
Compound name
(5-oxo-5-phenylpentyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.18777 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19505 215.9
[M+Na]+ 446.17699 217.0
[M-H]- 422.18049 225.1
[M+NH4]+ 441.22159 223.6
[M+K]+ 462.15093 204.3
[M+H-H2O]+ 406.18503 204.0
[M+HCOO]- 468.18597 238.8
[M+CH3COO]- 482.20162 221.3
[M+Na-2H]- 444.16244 217.0
[M]+ 423.18722 212.8
[M]- 423.18832 212.8
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

No patent data available for this compound.