CID 448674

Ethyl dihydrogen diphosphate

Structural Information

Molecular Formula
C2H8O7P2
SMILES
CCOP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-2-8-11(6,7)9-10(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
InChIKey
OJDJHGIXNZPZFD-UHFFFAOYSA-N
Compound name
ethyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1219
Patents

205.97453 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.981806 141.8
[M+Na]+ 228.963748 148.9
[M-H]- 204.967254 136.1
[M+NH4]+ 224.008353 159.4
[M+K]+ 244.937688 149.8
[M+H-H2O]+ 188.971790 133.7
[M+HCOO]- 250.972731 171.1
[M+CH3COO]- 264.988381 175.3
[M+Na-2H]- 226.949196 145.9
[M]+ 205.97398142 146.3
[M]- 205.97507858 146.3
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