CID 72268

Carbonyldiphosphonate

Structural Information

Molecular Formula
CH4O7P2
SMILES
C(=O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH4O7P2/c2-1(9(3,4)5)10(6,7)8/h(H2,3,4,5)(H2,6,7,8)
InChIKey
XYORSKKUGAGNPC-UHFFFAOYSA-N
Compound name
phosphonocarbonylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

636
Patents

189.94322 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.95050 136.3
[M+Na]+ 212.93244 143.5
[M-H]- 188.93594 129.5
[M+NH4]+ 207.97704 153.6
[M+K]+ 228.90638 143.6
[M+H-H2O]+ 172.94048 128.7
[M+HCOO]- 234.94142 163.6
[M+CH3COO]- 248.95707 169.7
[M+Na-2H]- 210.91789 139.1
[M]+ 189.94267 137.1
[M]- 189.94377 137.1
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.