CID 175685398

3-((bis(2-chloroethoxy)phosphoryl)oxy)-2,2-bis(chloromethyl)propyl (2-chloroethyl) hydrogen phosphate

Structural Information

Molecular Formula
C11H21Cl5O8P2
SMILES
C(CCl)OP(=O)(O)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl
InChI
InChI=1S/C11H21Cl5O8P2/c12-1-4-20-25(17,18)23-9-11(7-15,8-16)10-24-26(19,21-5-2-13)22-6-3-14/h1-10H2,(H,17,18)
InChIKey
LQCZNBLWDTUJQM-UHFFFAOYSA-N
Compound name
[3-chloro-2-[[2-chloroethoxy(hydroxy)phosphoryl]oxymethyl]-2-(chloromethyl)propyl] bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.9154 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.92268 191.8
[M+Na]+ 540.90462 205.3
[M-H]- 516.90812 202.5
[M+NH4]+ 535.94922 208.6
[M+K]+ 556.87856 194.3
[M+H-H2O]+ 500.91266 187.5
[M+HCOO]- 562.91360 221.1
[M+CH3COO]- 576.92925 230.4
[M+Na-2H]- 538.89007 193.2
[M]+ 517.91485 214.1
[M]- 517.91595 214.1
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.