CID 502244

(2r,3s,5r)-5-(2,4-difluoro-5-nitro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H11F2NO5
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)[N+](=O)[O-])CO)O
InChI
InChI=1S/C11H11F2NO5/c12-6-2-7(13)8(14(17)18)1-5(6)10-3-9(16)11(4-15)19-10/h1-2,9-11,15-16H,3-4H2/t9-,10+,11+/m0/s1
InChIKey
UJPCQOAFFXZAEJ-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(2,4-difluoro-5-nitrophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.06052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06780 154.4
[M+Na]+ 298.04974 162.0
[M-H]- 274.05324 157.3
[M+NH4]+ 293.09434 169.1
[M+K]+ 314.02368 155.5
[M+H-H2O]+ 258.05778 151.7
[M+HCOO]- 320.05872 173.2
[M+CH3COO]- 334.07437 187.4
[M+Na-2H]- 296.03519 157.1
[M]+ 275.05997 150.1
[M]- 275.06107 150.1
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

No patent data available for this compound.