CID 502245

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

Structural Information

Molecular Formula
C12H14FNO6
SMILES
COC1=C(C=C(C(=C1)F)[C@H]2C[C@@H]([C@H](O2)CO)O)[N+](=O)[O-]
InChI
InChI=1S/C12H14FNO6/c1-19-11-3-7(13)6(2-8(11)14(17)18)10-4-9(16)12(5-15)20-10/h2-3,9-10,12,15-16H,4-5H2,1H3/t9-,10+,12+/m0/s1
InChIKey
ACBMSAMZGFRXOW-HOSYDEDBSA-N
Compound name
(2R,3S,5R)-5-(2-fluoro-4-methoxy-5-nitrophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0805 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08778 159.4
[M+Na]+ 310.06972 166.3
[M-H]- 286.07322 163.5
[M+NH4]+ 305.11432 173.6
[M+K]+ 326.04366 160.6
[M+H-H2O]+ 270.07776 157.3
[M+HCOO]- 332.07870 179.1
[M+CH3COO]- 346.09435 190.0
[M+Na-2H]- 308.05517 162.4
[M]+ 287.07995 157.9
[M]- 287.08105 157.9
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.