CID 125766

2-deoxy-2-fluoro-l-fucose

Structural Information

Molecular Formula
C6H11FO4
SMILES
C[C@@H]([C@H]([C@H]([C@@H](C=O)F)O)O)O
InChI
InChI=1S/C6H11FO4/c1-3(9)5(10)6(11)4(7)2-8/h2-6,9-11H,1H3/t3-,4+,5+,6-/m0/s1
InChIKey
SQTFKIKSQNCWGJ-KCDKBNATSA-N
Compound name
(2S,3R,4R,5S)-2-fluoro-3,4,5-trihydroxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

513
Patents

166.06413 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07141 134.2
[M+Na]+ 189.05335 139.5
[M-H]- 165.05685 129.0
[M+NH4]+ 184.09795 152.3
[M+K]+ 205.02729 139.3
[M+H-H2O]+ 149.06139 129.1
[M+HCOO]- 211.06233 149.6
[M+CH3COO]- 225.07798 172.9
[M+Na-2H]- 187.03880 134.0
[M]+ 166.06358 131.0
[M]- 166.06468 131.0
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