CID 100854

58823-09-9

Structural Information

Molecular Formula
C10H20Cl4O6P2
SMILES
C(CP(=O)(OCCCl)OCCCl)OP(=O)(CCCl)OCCCl
InChI
InChI=1S/C10H20Cl4O6P2/c11-1-5-17-21(15,9-4-14)20-8-10-22(16,18-6-2-12)19-7-3-13/h1-10H2
InChIKey
CJOFOMGFGJRPFD-UHFFFAOYSA-N
Compound name
1-[bis(2-chloroethoxy)phosphoryl]-2-[2-chloroethoxy(2-chloroethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.9489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.95618 182.2
[M+Na]+ 460.93812 189.7
[M-H]- 436.94162 179.2
[M+NH4]+ 455.98272 200.6
[M+K]+ 476.91206 185.2
[M+H-H2O]+ 420.94616 176.7
[M+HCOO]- 482.94710 215.7
[M+CH3COO]- 496.96275 221.5
[M+Na-2H]- 458.92357 182.8
[M]+ 437.94835 195.5
[M]- 437.94945 195.5
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.