CID 10352692

Fluoro-d-glucose

Structural Information

Molecular Formula
C6H11FO6
SMILES
C([C@H]([C@H]([C@@H]([C@H](C(=O)F)O)O)O)O)O
InChI
InChI=1S/C6H11FO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h2-5,8-12H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey
IJPVCOQVFLNLAP-SQOUGZDYSA-N
Compound name
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

198.05397 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06125 140.0
[M+Na]+ 221.04319 143.9
[M-H]- 197.04669 131.9
[M+NH4]+ 216.08779 155.0
[M+K]+ 237.01713 143.8
[M+H-H2O]+ 181.05123 134.7
[M+HCOO]- 243.05217 151.8
[M+CH3COO]- 257.06782 173.8
[M+Na-2H]- 219.02864 137.5
[M]+ 198.05342 135.2
[M]- 198.05452 135.2
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