CID 73182

10596-32-4

Structural Information

Molecular Formula
CH4F2O6P2
SMILES
C(F)(F)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/CH4F2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKey
HSRBLOWVRMGXEC-UHFFFAOYSA-N
Compound name
[difluoro(phosphono)methyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

324
Patents

211.94511 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95239 142.4
[M+Na]+ 234.93433 150.0
[M-H]- 210.93783 133.1
[M+NH4]+ 229.97893 158.9
[M+K]+ 250.90827 149.3
[M+H-H2O]+ 194.94237 133.6
[M+HCOO]- 256.94331 166.5
[M+CH3COO]- 270.95896 173.7
[M+Na-2H]- 232.91978 146.4
[M]+ 211.94456 140.0
[M]- 211.94566 140.0
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