CID 113240

63451-48-9

Structural Information

Molecular Formula
C11H21Cl3O9P2
SMILES
C1C(COP(=O)(O1)OCCCl)(CO)COP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C11H21Cl3O9P2/c12-1-4-18-24(16,19-5-2-13)21-8-11(7-15)9-22-25(17,23-10-11)20-6-3-14/h15H,1-10H2
InChIKey
SVOXGBWDAYUGIC-UHFFFAOYSA-N
Compound name
[2-(2-chloroethoxy)-5-(hydroxymethyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]methyl bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.97263 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.97991 176.9
[M+Na]+ 486.96185 183.3
[M-H]- 462.96535 177.6
[M+NH4]+ 482.00645 189.0
[M+K]+ 502.93579 183.3
[M+H-H2O]+ 446.96989 171.8
[M+HCOO]- 508.97083 190.1
[M+CH3COO]- 522.98648 220.7
[M+Na-2H]- 484.94730 182.3
[M]+ 463.97208 190.5
[M]- 463.97318 190.5
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.