CID 116956

70942-40-4

Structural Information

Molecular Formula
C15H30O8P2
SMILES
CC1(COP(=O)(OC1)OCC(C)(C)COP2(=O)OCC(CO2)(C)C)C
InChI
InChI=1S/C15H30O8P2/c1-13(2,7-18-24(16)20-9-14(3,4)10-21-24)8-19-25(17)22-11-15(5,6)12-23-25/h7-12H2,1-6H3
InChIKey
AHJVKARLZRURJT-UHFFFAOYSA-N
Compound name
2-[3-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-2,2-dimethylpropoxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.1416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14888 179.6
[M+Na]+ 423.13082 186.2
[M+NH4]+ 418.17542 188.2
[M+K]+ 439.10476 179.1
[M-H]- 399.13432 183.5
[M+Na-2H]- 421.11627 185.1
[M]+ 400.14105 182.0
[M]- 400.14215 182.0
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