CID 17753980

Pd194158

Structural Information

Molecular Formula
C6H10F2O4
SMILES
C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F)O)O)O
InChI
InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKey
YZRDPODBASCWCK-AIECOIEWSA-N
Compound name
(2R,3S,4S,5S,6S)-5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.05472 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06200 134.1
[M+Na]+ 207.04394 142.1
[M-H]- 183.04744 132.1
[M+NH4]+ 202.08854 151.2
[M+K]+ 223.01788 141.0
[M+H-H2O]+ 167.05198 128.0
[M+HCOO]- 229.05292 148.5
[M+CH3COO]- 243.06857 174.3
[M+Na-2H]- 205.02939 136.6
[M]+ 184.05417 128.7
[M]- 184.05527 128.7
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.