CID 172142

Diphosphoric acid, dimethyl ester

Structural Information

Molecular Formula
C2H8O7P2
SMILES
COP(=O)(OC)OP(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-7-11(6,8-2)9-10(3,4)5/h1-2H3,(H2,3,4,5)
InChIKey
JSJFLHPWPFCJTN-UHFFFAOYSA-N
Compound name
dimethyl phosphono phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

205.97453 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.98181 140.0
[M+Na]+ 228.96375 147.7
[M-H]- 204.96725 135.9
[M+NH4]+ 224.00835 158.4
[M+K]+ 244.93769 149.4
[M+H-H2O]+ 188.97179 131.9
[M+HCOO]- 250.97273 170.9
[M+CH3COO]- 264.98838 177.7
[M+Na-2H]- 226.94920 144.8
[M]+ 205.97398 146.6
[M]- 205.97508 146.6
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