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

1835
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 182.0
[M+Na]+ 492.92797 189.1
[M-H]- 468.93147 199.1
[M+NH4]+ 487.97257 207.8
[M+K]+ 508.90191 186.1
[M+H-H2O]+ 452.93601 176.5
[M+HCOO]- 514.93695 221.6
[M+CH3COO]- 528.95260 225.1
[M+Na-2H]- 490.91342 184.0
[M]+ 469.93820 210.1
[M]- 469.93930 210.1
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

patents stripe