CID 492559

2,5,6-trichloro-1-(beta-d-erythrofuranosyl)benzimidazole

Structural Information

Molecular Formula
C11H9Cl3N2O3
SMILES
C1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)O)O
InChI
InChI=1S/C11H9Cl3N2O3/c12-4-1-6-7(2-5(4)13)16(11(14)15-6)10-9(18)8(17)3-19-10/h1-2,8-10,17-18H,3H2/t8-,9-,10-/m1/s1
InChIKey
NTRQBZYSNNMYPH-OPRDCNLKSA-N
Compound name
(2R,3R,4R)-2-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.96786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.97514 166.8
[M+Na]+ 344.95708 179.6
[M-H]- 320.96058 169.5
[M+NH4]+ 340.00168 182.4
[M+K]+ 360.93102 174.0
[M+H-H2O]+ 304.96512 161.9
[M+HCOO]- 366.96606 170.5
[M+CH3COO]- 380.98171 177.9
[M+Na-2H]- 342.94253 165.9
[M]+ 321.96731 171.2
[M]- 321.96841 171.2
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.