CID 450416

Hydroxyethylenediphosphonic acid

Structural Information

Molecular Formula
C2H8O7P2
SMILES
C(C(O)P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c3-2(11(7,8)9)1-10(4,5)6/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9)
InChIKey
VPTUPAVOBUEXMZ-UHFFFAOYSA-N
Compound name
(1-hydroxy-2-phosphonoethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7183
Patents

205.97453 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.981806 144.7
[M+Na]+ 228.963748 150.6
[M-H]- 204.967254 136.2
[M+NH4]+ 224.008353 160.6
[M+K]+ 244.937688 150.3
[M+H-H2O]+ 188.971790 136.9
[M+HCOO]- 250.972731 169.8
[M+CH3COO]- 264.988381 171.6
[M+Na-2H]- 226.949196 146.2
[M]+ 205.97398142 144.6
[M]- 205.97507858 144.6
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