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
1
Annotation Hits

13
References

551
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

literature stripe

Patent stripe

patents stripe