CID 88650

Diphosphoric acid, triethyl ester

Structural Information

Molecular Formula
C6H16O7P2
SMILES
CCOP(=O)(O)OP(=O)(OCC)OCC
InChI
InChI=1S/C6H16O7P2/c1-4-10-14(7,8)13-15(9,11-5-2)12-6-3/h4-6H2,1-3H3,(H,7,8)
InChIKey
NDLNATOTGAPSLR-UHFFFAOYSA-N
Compound name
[ethoxy(hydroxy)phosphoryl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

262.03714 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04442 155.3
[M+Na]+ 285.02636 160.7
[M+NH4]+ 280.07096 158.0
[M+K]+ 301.00030 160.2
[M-H]- 261.02986 149.0
[M+Na-2H]- 283.01181 154.3
[M]+ 262.03659 153.6
[M]- 262.03769 153.6
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