CID 469423

2-chloro-5,6-difluoro-1-(beta-d-ribofuranosyl)benzimidazole

Structural Information

Molecular Formula
C12H11ClF2N2O4
SMILES
C1=C2C(=CC(=C1F)F)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H11ClF2N2O4/c13-12-16-6-1-4(14)5(15)2-7(6)17(12)11-10(20)9(19)8(3-18)21-11/h1-2,8-11,18-20H,3H2/t8-,9-,10-,11-/m1/s1
InChIKey
ITDJEYVPFRMYES-GWOFURMSSA-N
Compound name
(2R,3R,4S,5R)-2-(2-chloro-5,6-difluorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

320.03754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04482 164.7
[M+Na]+ 343.02676 177.6
[M-H]- 319.03026 165.9
[M+NH4]+ 338.07136 179.6
[M+K]+ 359.00070 172.2
[M+H-H2O]+ 303.03480 158.0
[M+HCOO]- 365.03574 175.5
[M+CH3COO]- 379.05139 176.1
[M+Na-2H]- 341.01221 163.4
[M]+ 320.03699 166.8
[M]- 320.03809 166.8
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.