CID 14030

Diphosphoric(iii,v) acid, p(sup iii),p(sup iii),p(sup v)-triethyl methyl ester

Structural Information

Molecular Formula
C7H18O6P2
SMILES
CCOP(OCC)OP(=O)(OC)OCC
InChI
InChI=1S/C7H18O6P2/c1-5-10-14(11-6-2)13-15(8,9-4)12-7-3/h5-7H2,1-4H3
InChIKey
QGFRGYGPVCJCJZ-UHFFFAOYSA-N
Compound name
diethoxyphosphanyl ethyl methyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05786 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.065136 160.3
[M+Na]+ 283.047078 166.3
[M-H]- 259.050584 158.1
[M+NH4]+ 278.091683 178.2
[M+K]+ 299.021018 168.7
[M+H-H2O]+ 243.055120 150.6
[M+HCOO]- 305.056061 193.0
[M+CH3COO]- 319.071711 196.9
[M+Na-2H]- 281.032526 160.8
[M]+ 260.05731142 172.1
[M]- 260.05840858 172.1
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

No patent data available for this compound.