CID 122874

Imidodiphosphoric acid

Structural Information

Molecular Formula
H5NO6P2
SMILES
N(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKey
GNGSOPFGGKKDQP-UHFFFAOYSA-N
Compound name
(phosphonoamino)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

2593
Patents

176.95921 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.96649 135.1
[M+Na]+ 199.94843 141.7
[M-H]- 175.95193 128.2
[M+NH4]+ 194.99303 152.6
[M+K]+ 215.92237 141.5
[M+H-H2O]+ 159.95647 127.1
[M+HCOO]- 221.95741 164.1
[M+CH3COO]- 235.97306 169.9
[M+Na-2H]- 197.93388 139.3
[M]+ 176.95866 134.4
[M]- 176.95976 134.4
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