CID 55391

85718-29-2

Structural Information

Molecular Formula
C28H25O3P
SMILES
C1=CC=C(C=C1)CP2(=O)C(OC(OC2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H25O3P/c29-32(21-22-13-5-1-6-14-22)27(24-17-9-3-10-18-24)30-26(23-15-7-2-8-16-23)31-28(32)25-19-11-4-12-20-25/h1-20,26-28H,21H2
InChIKey
YFGSFTDMHQFZBB-UHFFFAOYSA-N
Compound name
5-benzyl-2,4,6-triphenyl-1,3,5lambda5-dioxaphosphinane 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.15414 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16142 213.2
[M+Na]+ 463.14336 217.5
[M-H]- 439.14686 227.1
[M+NH4]+ 458.18796 219.9
[M+K]+ 479.11730 213.9
[M+H-H2O]+ 423.15140 197.4
[M+HCOO]- 485.15234 235.0
[M+CH3COO]- 499.16799 221.0
[M+Na-2H]- 461.12881 211.8
[M]+ 440.15359 210.1
[M]- 440.15469 210.1
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