CID 513278

(1r)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-vinylphenyl)-d-erythro-pentitol

Structural Information

Molecular Formula
C13H14F2O3
SMILES
C=CC1=CC(=C(C=C1F)F)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C13H14F2O3/c1-2-7-3-8(10(15)4-9(7)14)12-5-11(17)13(6-16)18-12/h2-4,11-13,16-17H,1,5-6H2/t11-,12+,13+/m0/s1
InChIKey
ORTMIKLYRHDKIC-YNEHKIRRSA-N
Compound name
(2R,3S,5R)-5-(5-ethenyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.0911 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09838 153.9
[M+Na]+ 279.08032 162.9
[M-H]- 255.08382 156.7
[M+NH4]+ 274.12492 170.7
[M+K]+ 295.05426 159.1
[M+H-H2O]+ 239.08836 147.0
[M+HCOO]- 301.08930 171.2
[M+CH3COO]- 315.10495 191.3
[M+Na-2H]- 277.06577 153.5
[M]+ 256.09055 150.9
[M]- 256.09165 150.9
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.