CID 117947

Diethyl dihydrogen diphosphate

Structural Information

Molecular Formula
C4H12O7P2
SMILES
CCOP(=O)(O)OP(=O)(O)OCC
InChI
InChI=1S/C4H12O7P2/c1-3-9-12(5,6)11-13(7,8)10-4-2/h3-4H2,1-2H3,(H,5,6)(H,7,8)
InChIKey
RUZMUTWCUZLWQU-UHFFFAOYSA-N
Compound name
[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

234.00583 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.01311 149.8
[M+Na]+ 256.99505 156.7
[M-H]- 232.99855 145.3
[M+NH4]+ 252.03965 167.1
[M+K]+ 272.96899 157.9
[M+H-H2O]+ 217.00309 141.2
[M+HCOO]- 279.00403 180.1
[M+CH3COO]- 293.01968 183.7
[M+Na-2H]- 254.98050 153.6
[M]+ 234.00528 157.1
[M]- 234.00638 157.1
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

patents stripe