CID 27304

Hydroxymethanediphosphonic acid

Structural Information

Molecular Formula
CH6O7P2
SMILES
C(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH6O7P2/c2-1(9(3,4)5)10(6,7)8/h1-2H,(H2,3,4,5)(H2,6,7,8)
InChIKey
HJZKOAYDRQLPME-UHFFFAOYSA-N
Compound name
[hydroxy(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

669
References

2869
Patents

191.95888 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.96616 139.9
[M+Na]+ 214.94810 146.3
[M-H]- 190.95160 131.6
[M+NH4]+ 209.99270 156.4
[M+K]+ 230.92204 146.1
[M+H-H2O]+ 174.95614 132.3
[M+HCOO]- 236.95708 165.3
[M+CH3COO]- 250.97273 168.5
[M+Na-2H]- 212.93355 141.9
[M]+ 191.95833 139.4
[M]- 191.95943 139.4
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