CID 502237

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

Structural Information

Molecular Formula
C11H11ClF2O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)Cl)CO)O
InChI
InChI=1S/C11H11ClF2O3/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
CHQGPVZMXBLAEA-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(5-chloro-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.03647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04375 152.1
[M+Na]+ 287.02569 162.4
[M-H]- 263.02919 155.0
[M+NH4]+ 282.07029 169.5
[M+K]+ 302.99963 157.8
[M+H-H2O]+ 247.03373 146.2
[M+HCOO]- 309.03467 165.4
[M+CH3COO]- 323.05032 189.8
[M+Na-2H]- 285.01114 152.4
[M]+ 264.03592 151.2
[M]- 264.03702 151.2
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.