CID 502236

(2r,3s,5r)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H11F3O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)F)CO)O
InChI
InChI=1S/C11H11F3O3/c12-6-2-8(14)7(13)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10+,11+/m0/s1
InChIKey
BNFULMLJJVNAIW-HBNTYKKESA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(2,4,5-trifluorophenyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06602 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07330 148.6
[M+Na]+ 271.05524 158.2
[M-H]- 247.05874 150.2
[M+NH4]+ 266.09984 165.6
[M+K]+ 287.02918 155.0
[M+H-H2O]+ 231.06328 140.9
[M+HCOO]- 293.06422 165.3
[M+CH3COO]- 307.07987 188.8
[M+Na-2H]- 269.04069 148.7
[M]+ 248.06547 144.4
[M]- 248.06657 144.4
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.