CID 502246

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

Structural Information

Molecular Formula
C11H13F2NO3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)N)CO)O
InChI
InChI=1S/C11H13F2NO3/c12-6-2-7(13)8(14)1-5(6)10-3-9(16)11(4-15)17-10/h1-2,9-11,15-16H,3-4,14H2/t9-,10+,11+/m0/s1
InChIKey
SLWPOCZPZWQGPE-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(5-amino-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.08635 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09363 150.8
[M+Na]+ 268.07557 159.5
[M-H]- 244.07907 153.3
[M+NH4]+ 263.12017 167.4
[M+K]+ 284.04951 156.3
[M+H-H2O]+ 228.08361 143.6
[M+HCOO]- 290.08455 169.0
[M+CH3COO]- 304.10020 190.7
[M+Na-2H]- 266.06102 150.8
[M]+ 245.08580 146.1
[M]- 245.08690 146.1
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.