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

165
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 157.9
[M+Na]+ 285.02636 164.5
[M-H]- 261.02986 154.6
[M+NH4]+ 280.07096 163.8
[M+K]+ 301.00030 166.2
[M+H-H2O]+ 245.03440 148.9
[M+HCOO]- 307.03534 183.3
[M+CH3COO]- 321.05099 192.2
[M+Na-2H]- 283.01181 161.4
[M]+ 262.03659 168.1
[M]- 262.03769 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