CID 2773663

880-68-2

Structural Information

Molecular Formula
C6H8O6P2
SMILES
C1=CC(=CC=C1P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C6H8O6P2/c7-13(8,9)5-1-2-6(4-3-5)14(10,11)12/h1-4H,(H2,7,8,9)(H2,10,11,12)
InChIKey
JHDJUJAFXNIIIW-UHFFFAOYSA-N
Compound name
(4-phosphonophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

228
Patents

237.97961 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.98689 151.3
[M+Na]+ 260.96883 158.4
[M-H]- 236.97233 147.8
[M+NH4]+ 256.01343 166.8
[M+K]+ 276.94277 156.7
[M+H-H2O]+ 220.97687 142.3
[M+HCOO]- 282.97781 179.0
[M+CH3COO]- 296.99346 179.6
[M+Na-2H]- 258.95428 154.0
[M]+ 237.97906 151.4
[M]- 237.98016 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.