CID 490246

1-(2-deoxy-.beta.-d-ribofuranosyl)-5-(2,2-dibromo-1-hydroxyethyl)-2,4-difluorobenzene

Structural Information

Molecular Formula
C13H14Br2F2O4
SMILES
C1[C@@H]([C@H](O[C@H]1C2=CC(=C(C=C2F)F)C(C(Br)Br)O)CO)O
InChI
InChI=1S/C13H14Br2F2O4/c14-13(15)12(20)6-1-5(7(16)2-8(6)17)10-3-9(19)11(4-18)21-10/h1-2,9-13,18-20H,3-4H2/t9-,10+,11+,12?/m0/s1
InChIKey
ZURGNDARWZEDLC-YZTHKRDXSA-N
Compound name
(2R,3S,5R)-5-[5-(2,2-dibromo-1-hydroxyethyl)-2,4-difluorophenyl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.9227 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.92998 182.2
[M+Na]+ 452.91192 190.6
[M-H]- 428.91542 186.4
[M+NH4]+ 447.95652 195.6
[M+K]+ 468.88586 175.3
[M+H-H2O]+ 412.91996 188.1
[M+HCOO]- 474.92090 189.7
[M+CH3COO]- 488.93655 216.8
[M+Na-2H]- 450.89737 179.9
[M]+ 429.92215 212.2
[M]- 429.92325 212.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.