CID 446584

2-fluoro-2-deoxy-beta-d-galactopyranosyl-beta-d-glucopyranose

Structural Information

Molecular Formula
C12H21FO10
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)F)O)O)O
InChI
InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChIKey
KWMZPXRIEZDXAQ-QRZGKKJRSA-N
Compound name
(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.11188 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11916 175.2
[M+Na]+ 367.10110 179.4
[M-H]- 343.10460 172.6
[M+NH4]+ 362.14570 181.4
[M+K]+ 383.07504 179.5
[M+H-H2O]+ 327.10914 168.1
[M+HCOO]- 389.11008 179.5
[M+CH3COO]- 403.12573 200.3
[M+Na-2H]- 365.08655 172.1
[M]+ 344.11133 170.8
[M]- 344.11243 170.8
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

No patent data available for this compound.