CID 56842945

1,3,2-dioxaphosphorinane, 2,2'-[[2,2-bis(chloromethyl)-1,3-propanediyl]bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide

Structural Information

Molecular Formula
C15H28Cl2O8P2
SMILES
CC1(COP(=O)(OC1)OCC(COP2(=O)OCC(CO2)(C)C)(CCl)CCl)C
InChI
InChI=1S/C15H28Cl2O8P2/c1-13(2)7-20-26(18,21-8-13)24-11-15(5-16,6-17)12-25-27(19)22-9-14(3,4)10-23-27/h5-12H2,1-4H3
InChIKey
ILIAGSDZPCJDQR-UHFFFAOYSA-N
Compound name
2-[2,2-bis(chloromethyl)-3-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propoxy]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

468.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.07094 186.8
[M+Na]+ 491.05288 193.1
[M-H]- 467.05638 193.1
[M+NH4]+ 486.09748 200.0
[M+K]+ 507.02682 196.9
[M+H-H2O]+ 451.06092 180.8
[M+HCOO]- 513.06186 200.0
[M+CH3COO]- 527.07751 226.9
[M+Na-2H]- 489.03833 193.8
[M]+ 468.06311 197.9
[M]- 468.06421 197.9
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