CID 471181

Methanefluorodiphosphonate

Structural Information

Molecular Formula
CH5FO6P2
SMILES
C(F)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH5FO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,(H2,3,4,5)(H2,6,7,8)
InChIKey
ORTLAIHEWHWRPQ-UHFFFAOYSA-N
Compound name
[fluoro(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

94
Patents

193.95454 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.96182 138.9
[M+Na]+ 216.94376 146.0
[M-H]- 192.94726 130.7
[M+NH4]+ 211.98836 156.1
[M+K]+ 232.91770 145.7
[M+H-H2O]+ 176.95180 130.5
[M+HCOO]- 238.95274 164.7
[M+CH3COO]- 252.96839 171.1
[M+Na-2H]- 214.92921 140.7
[M]+ 193.95399 137.8
[M]- 193.95509 137.8
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