CID 113238

63451-45-6

Structural Information

Molecular Formula
C13H26Cl4O10P2
SMILES
C(CCl)OP(=O)(OCCCl)OCC(CO)(CO)COP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C13H26Cl4O10P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h18-19H,1-12H2
InChIKey
HDYKSDOJZARVPT-UHFFFAOYSA-N
Compound name
[2-[bis(2-chloroethoxy)phosphoryloxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

543.9755 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.98278 199.5
[M+Na]+ 566.96472 204.3
[M+NH4]+ 562.00932 223.6
[M+K]+ 582.93866 216.8
[M-H]- 542.96822 212.1
[M+Na-2H]- 564.95017 198.5
[M]+ 543.97495 201.6
[M]- 543.97605 201.6
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