CID 3084169

Phosphonic acid

Structural Information

Molecular Formula
H2O3P
SMILES
O[P+](=O)O
InChI
InChI=1S/HO3P/c1-4(2)3/h(H-,1,2,3)/p+1
InChIKey
XNQULTQRGBXLIA-UHFFFAOYSA-O
Compound name
dihydroxy(oxo)phosphanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

217
References

141500
Patents

80.97416 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.981436 110.2
[M+Na]+ 103.96338 118.8
[M-H]- 79.966884 107.8
[M+NH4]+ 99.007983 133.1
[M+K]+ 119.93732 113.8
[M+H-H2O]+ 63.971420 107.7
[M+HCOO]- 125.97236 137.7
[M+CH3COO]- 139.98801 149.3
[M+Na-2H]- 101.94883 117.0
[M]+ 80.973611 108.8
[M]- 80.974709 108.8
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