CID 125701

N-fluoroacetylgalactosamine

Structural Information

Molecular Formula
C8H14FNO6
SMILES
C([C@H]([C@@H]([C@@H]([C@H](C=O)NC(=O)CF)O)O)O)O
InChI
InChI=1S/C8H14FNO6/c9-1-6(14)10-4(2-11)7(15)8(16)5(13)3-12/h2,4-5,7-8,12-13,15-16H,1,3H2,(H,10,14)/t4-,5+,7+,8-/m0/s1
InChIKey
VEJLAIIDMLUTRB-LAHCRNKXSA-N
Compound name
2-fluoro-N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

23
Patents

239.08052 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.08780 151.1
[M+Na]+ 262.06974 153.3
[M+NH4]+ 257.11434 152.6
[M+K]+ 278.04368 154.8
[M-H]- 238.07324 143.3
[M+Na-2H]- 260.05519 147.4
[M]+ 239.07997 148.1
[M]- 239.08107 148.1
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