CID 109025

2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2-chloroethoxy)-

Structural Information

Molecular Formula
C9H16Cl2O6P2
SMILES
C1C2(COP(O1)OCCCl)COP(OC2)OCCCl
InChI
InChI=1S/C9H16Cl2O6P2/c10-1-3-12-18-14-5-9(6-15-18)7-16-19(17-8-9)13-4-2-11/h1-8H2
InChIKey
DNRRTXPAUIIZED-UHFFFAOYSA-N
Compound name
3,9-bis(2-chloroethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.97992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98720 175.5
[M+Na]+ 374.96914 180.6
[M-H]- 350.97264 179.8
[M+NH4]+ 370.01374 187.5
[M+K]+ 390.94308 182.8
[M+H-H2O]+ 334.97718 166.5
[M+HCOO]- 396.97812 190.7
[M+CH3COO]- 410.99377 206.2
[M+Na-2H]- 372.95459 177.2
[M]+ 351.97937 181.9
[M]- 351.98047 181.9
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