CID 449219

5(r)-fluoro-beta-d-xylopyranose

Structural Information

Molecular Formula
C5H9FO5
SMILES
[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)O)O)O
InChI
InChI=1S/C5H9FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-10H/t1-,2-,3+,4-,5+/m0/s1
InChIKey
XKMGDFKROIEADD-CIOUUCGESA-N
Compound name
(2R,3R,4R,5S,6R)-6-fluorooxane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0434 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.05068 130.2
[M+Na]+ 191.03262 138.0
[M-H]- 167.03612 128.3
[M+NH4]+ 186.07722 147.1
[M+K]+ 207.00656 137.2
[M+H-H2O]+ 151.04066 125.2
[M+HCOO]- 213.04160 144.6
[M+CH3COO]- 227.05725 168.5
[M+Na-2H]- 189.01807 133.3
[M]+ 168.04285 125.2
[M]- 168.04395 125.2
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.