CID 94445

33125-86-9

Structural Information

Molecular Formula
C10H20Cl4O8P2
SMILES
C(COP(=O)(OCCCl)OCCCl)OP(=O)(OCCCl)OCCCl
InChI
InChI=1S/C10H20Cl4O8P2/c11-1-5-17-23(15,18-6-2-12)21-9-10-22-24(16,19-7-3-13)20-8-4-14/h1-10H2
InChIKey
CJWBPEYRTPGWPF-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethoxy)phosphoryloxy]ethyl bis(2-chloroethyl) phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1782
Patents

469.93875 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.94603 186.4
[M+Na]+ 492.92797 192.8
[M+NH4]+ 487.97257 188.7
[M+K]+ 508.90191 189.3
[M-H]- 468.93147 180.1
[M+Na-2H]- 490.91342 185.4
[M]+ 469.93820 185.9
[M]- 469.93930 185.9
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