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 198.0
[M+Na]+ 453.15664 205.0
[M-H]- 429.16014 207.6
[M+NH4]+ 448.20124 211.3
[M+K]+ 469.13058 209.2
[M+H-H2O]+ 413.16468 186.8
[M+HCOO]- 475.16562 220.3
[M+CH3COO]- 489.18127 229.3
[M+Na-2H]- 451.14209 198.5
[M]+ 430.16687 203.3
[M]- 430.16797 203.3
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.