CID 105220

65850-54-6

Structural Information

Molecular Formula
C20H32O6P2
SMILES
CC1=CC(=C(C=C1CP2(=O)OCC(CO2)(C)C)C)CP3(=O)OCC(CO3)(C)C
InChI
InChI=1S/C20H32O6P2/c1-15-7-18(10-28(22)25-13-20(5,6)14-26-28)16(2)8-17(15)9-27(21)23-11-19(3,4)12-24-27/h7-8H,9-14H2,1-6H3
InChIKey
WXXIZSXQJRYHCL-UHFFFAOYSA-N
Compound name
2-[[4-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]-2,5-dimethylphenyl]methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.16742 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17470 190.1
[M+Na]+ 453.15664 200.9
[M+NH4]+ 448.20124 200.4
[M+K]+ 469.13058 190.4
[M-H]- 429.16014 198.4
[M+Na-2H]- 451.14209 198.0
[M]+ 430.16687 194.5
[M]- 430.16797 194.5
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.