CID 6326976

Diphosphonic acid

Structural Information

Molecular Formula
H2O5P2
SMILES
O[P+](=O)O[P+](=O)O
InChI
InChI=1S/O5P2/c1-6(2)5-7(3)4/p+2
InChIKey
YWEUIGNSBFLMFL-UHFFFAOYSA-P
Compound name
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22894
Patents

143.93774 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.94502 122.0
[M+Na]+ 166.92696 130.0
[M-H]- 142.93046 119.1
[M+NH4]+ 161.97156 142.1
[M+K]+ 182.90090 120.4
[M+H-H2O]+ 126.93500 119.7
[M+HCOO]- 188.93594 153.6
[M+CH3COO]- 202.95159 154.5
[M+Na-2H]- 164.91241 128.5
[M]+ 143.93719 122.2
[M]- 143.93829 122.2
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