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

87
Patents

262.03714 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.044416 157.9
[M+Na]+ 285.026358 164.5
[M-H]- 261.029864 154.6
[M+NH4]+ 280.070963 163.8
[M+K]+ 301.000298 166.2
[M+H-H2O]+ 245.034400 148.9
[M+HCOO]- 307.035341 183.3
[M+CH3COO]- 321.050991 192.2
[M+Na-2H]- 283.011806 161.4
[M]+ 262.03659142 168.1
[M]- 262.03768858 168.1
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