CID 104505

Einecs 258-570-3

Structural Information

Molecular Formula
C12H24Cl4O9P2
SMILES
C(COP(=O)(OCCCl)OCCCl)OCCOP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C12H24Cl4O9P2/c13-1-5-20-26(17,21-6-2-14)24-11-9-19-10-12-25-27(18,22-7-3-15)23-8-4-16/h1-12H2
InChIKey
BKPSPVSDCLSBBK-UHFFFAOYSA-N
Compound name
2-[2-[bis(2-chloroethoxy)phosphoryloxy]ethoxy]ethyl bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

513.96497 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.97225 209.8
[M+Na]+ 536.95419 214.5
[M-H]- 512.95769 209.0
[M+NH4]+ 531.99879 218.5
[M+K]+ 552.92813 209.2
[M+H-H2O]+ 496.96223 199.2
[M+HCOO]- 558.96317 230.9
[M+CH3COO]- 572.97882 232.2
[M+Na-2H]- 534.93964 199.7
[M]+ 513.96442 220.4
[M]- 513.96552 220.4
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