CID 15455

Tetraethyl methylenediphosphonate

Structural Information

Molecular Formula
C9H22O6P2
SMILES
CCOP(=O)(CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
InChIKey
STJWVOQLJPNAQL-UHFFFAOYSA-N
Compound name
1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1109
Patents

288.08917 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09645 164.7
[M+Na]+ 311.07839 170.5
[M+NH4]+ 306.12299 179.7
[M+K]+ 327.05233 168.5
[M-H]- 287.08189 159.4
[M+Na-2H]- 309.06384 164.0
[M]+ 288.08862 163.4
[M]- 288.08972 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe