CID 502238

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

Structural Information

Molecular Formula
C11H11BrF2O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)Br)CO)O
InChI
InChI=1S/C11H11BrF2O3/c12-6-1-5(7(13)2-8(6)14)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4H2/t9-,10+,11+/m0/s1
InChIKey
CYVRADZAOPPRMO-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(5-bromo-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.98596 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99324 163.0
[M+Na]+ 330.97518 175.1
[M-H]- 306.97868 168.4
[M+NH4]+ 326.01978 181.2
[M+K]+ 346.94912 163.8
[M+H-H2O]+ 290.98322 161.8
[M+HCOO]- 352.98416 178.4
[M+CH3COO]- 366.99981 195.7
[M+Na-2H]- 328.96063 164.1
[M]+ 307.98541 178.4
[M]- 307.98651 178.4
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.