CID 12684

Tetraethyl isohypophosphate

Structural Information

Molecular Formula
C8H20O6P2
SMILES
CCOP(OCC)OP(=O)(OCC)OCC
InChI
InChI=1S/C8H20O6P2/c1-5-10-15(11-6-2)14-16(9,12-7-3)13-8-4/h5-8H2,1-4H3
InChIKey
CFQUMKJJLXSKET-UHFFFAOYSA-N
Compound name
diethoxyphosphanyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

274.07352 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08080 165.3
[M+Na]+ 297.06274 170.8
[M-H]- 273.06624 162.9
[M+NH4]+ 292.10734 176.5
[M+K]+ 313.03668 172.9
[M+H-H2O]+ 257.07078 155.3
[M+HCOO]- 319.07172 191.7
[M+CH3COO]- 333.08737 199.9
[M+Na-2H]- 295.04819 165.2
[M]+ 274.07297 177.4
[M]- 274.07407 177.4
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