CID 5327010

3-deoxy-3-fluoro-d-erythro-alpha-l-manno-non-2-ulopyranosonic acid

Structural Information

Molecular Formula
C9H15FO9
SMILES
C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O
InChI
InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1
InChIKey
KOWJBKIDVGQXJZ-QMFVTVPYSA-N
Compound name
(2R,3R,4R,5R,6S)-3-fluoro-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07728 156.8
[M+Na]+ 309.05922 161.3
[M-H]- 285.06272 150.3
[M+NH4]+ 304.10382 168.0
[M+K]+ 325.03316 161.5
[M+H-H2O]+ 269.06726 152.4
[M+HCOO]- 331.06820 163.2
[M+CH3COO]- 345.08385 186.6
[M+Na-2H]- 307.04467 155.0
[M]+ 286.06945 151.8
[M]- 286.07055 151.8
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.