CID 7873

Tetraethyl pyrophosphate

Structural Information

Molecular Formula
C8H20O7P2
SMILES
CCOP(=O)(OCC)OP(=O)(OCC)OCC
InChI
InChI=1S/C8H20O7P2/c1-5-11-16(9,12-6-2)15-17(10,13-7-3)14-8-4/h5-8H2,1-4H3
InChIKey
IDCBOTIENDVCBQ-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

87
References

18132
Patents

290.06842 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07570 166.2
[M+Na]+ 313.05764 172.4
[M-H]- 289.06114 166.7
[M+NH4]+ 308.10224 175.4
[M+K]+ 329.03158 174.5
[M+H-H2O]+ 273.06568 156.6
[M+HCOO]- 335.06662 193.6
[M+CH3COO]- 349.08227 200.8
[M+Na-2H]- 311.04309 169.3
[M]+ 290.06787 179.1
[M]- 290.06897 179.1
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