CID 502234

Unii-l0706l0omt

Structural Information

Molecular Formula
C11H12F2O3
SMILES
C1[C@@H]([C@H](O[C@H]1C2=C(C=C(C=C2)F)F)CO)O
InChI
InChI=1S/C11H12F2O3/c12-6-1-2-7(8(13)3-6)10-4-9(15)11(5-14)16-10/h1-3,9-11,14-15H,4-5H2/t9-,10+,11+/m0/s1
InChIKey
VQLSSZHKMQNLJF-HBNTYKKESA-N
Compound name
(2R,3S,5R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.07545 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08273 145.9
[M+Na]+ 253.06467 154.6
[M-H]- 229.06817 148.6
[M+NH4]+ 248.10927 163.5
[M+K]+ 269.03861 151.8
[M+H-H2O]+ 213.07271 139.0
[M+HCOO]- 275.07365 163.8
[M+CH3COO]- 289.08930 184.8
[M+Na-2H]- 251.05012 147.3
[M]+ 230.07490 142.5
[M]- 230.07600 142.5
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.