CID 49867061

Pd195030

Structural Information

Molecular Formula
C6H10F2O5
SMILES
C([C@]1([C@H]([C@@H]([C@@H]([C@@H](O1)F)O)O)O)F)O
InChI
InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKey
MGHYRMVVRYCAON-PHYPRBDBSA-N
Compound name
(2R,3S,4R,5S,6S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.04964 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.05692 136.2
[M+Na]+ 223.03886 144.6
[M-H]- 199.04236 133.1
[M+NH4]+ 218.08346 153.9
[M+K]+ 239.01280 143.5
[M+H-H2O]+ 183.04690 131.3
[M+HCOO]- 245.04784 149.2
[M+CH3COO]- 259.06349 173.9
[M+Na-2H]- 221.02431 139.7
[M]+ 200.04909 130.9
[M]- 200.05019 130.9
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.