CID 11744814

5-deoxy-5-fluoro-d-xylulose

Structural Information

Molecular Formula
C5H9FO4
SMILES
C([C@H]([C@@H](C(=O)CO)O)O)F
InChI
InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1
InChIKey
DZPAPJMTQBXJAM-WUJLRWPWSA-N
Compound name
(3S,4S)-5-fluoro-1,3,4-trihydroxypentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

152.0485 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.05578 129.6
[M+Na]+ 175.03772 135.4
[M-H]- 151.04122 124.4
[M+NH4]+ 170.08232 148.2
[M+K]+ 191.01166 135.0
[M+H-H2O]+ 135.04576 124.5
[M+HCOO]- 197.04670 146.2
[M+CH3COO]- 211.06235 168.8
[M+Na-2H]- 173.02317 131.1
[M]+ 152.04795 126.6
[M]- 152.04905 126.6
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.