CID 10083711

Diimidotriphosphoric acid

Structural Information

Molecular Formula
H7N2O8P3
SMILES
N(P(=O)(NP(=O)(O)O)O)P(=O)(O)O
InChI
InChI=1S/H7N2O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h(H7,1,2,3,4,5,6,7,8,9,10)
InChIKey
JCALBVZBIRXHMQ-UHFFFAOYSA-N
Compound name
[[hydroxy-(phosphonoamino)phosphoryl]amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

617
Patents

255.94153 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94881 151.3
[M+Na]+ 278.93075 155.5
[M-H]- 254.93425 156.1
[M+NH4]+ 273.97535 147.2
[M+K]+ 294.90469 156.1
[M+H-H2O]+ 238.93879 140.5
[M+HCOO]- 300.93973 167.8
[M+CH3COO]- 314.95538 185.7
[M+Na-2H]- 276.91620 156.3
[M]+ 255.94098 141.7
[M]- 255.94208 141.7
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