CID 137332080

2-deoxy-2-[(difluoroacetyl)amino]-alpha-d-galactopyranose

Structural Information

Molecular Formula
C8H13F2NO6
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)NC(=O)C(F)F)O)O)O
InChI
InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1
InChIKey
QWUDJWPZSGMAGG-WWHASAIZSA-N
Compound name
2,2-difluoro-N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0711 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07838 152.1
[M+Na]+ 280.06032 157.3
[M-H]- 256.06382 148.2
[M+NH4]+ 275.10492 164.6
[M+K]+ 296.03426 156.6
[M+H-H2O]+ 240.06836 144.9
[M+HCOO]- 302.06930 163.8
[M+CH3COO]- 316.08495 188.9
[M+Na-2H]- 278.04577 150.9
[M]+ 257.07055 145.6
[M]- 257.07165 145.6
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.