CID 512603

1-(2-deoxy-.beta.-d-ribofuranosyl)-2,4-difluoro-5-ethylbenzene

Structural Information

Molecular Formula
C13H16F2O3
SMILES
CCC1=CC(=C(C=C1F)F)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C13H16F2O3/c1-2-7-3-8(10(15)4-9(7)14)12-5-11(17)13(6-16)18-12/h3-4,11-13,16-17H,2,5-6H2,1H3/t11-,12+,13+/m0/s1
InChIKey
SOJFSJZNUBEYKB-YNEHKIRRSA-N
Compound name
(2R,3S,5R)-5-(5-ethyl-2,4-difluorophenyl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.10675 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11403 155.1
[M+Na]+ 281.09597 163.9
[M-H]- 257.09947 157.9
[M+NH4]+ 276.14057 171.9
[M+K]+ 297.06991 160.7
[M+H-H2O]+ 241.10401 148.1
[M+HCOO]- 303.10495 172.3
[M+CH3COO]- 317.12060 192.1
[M+Na-2H]- 279.08142 154.8
[M]+ 258.10620 152.8
[M]- 258.10730 152.8
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.