CID 160418

53-82-7

Structural Information

Molecular Formula
C12H11Cl3N2O4
SMILES
C1=C2C(=C(C(=C1Cl)Cl)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H11Cl3N2O4/c13-4-1-5-9(8(15)7(4)14)16-3-17(5)12-11(20)10(19)6(2-18)21-12/h1,3,6,10-12,18-20H,2H2/t6-,10-,11-,12-/m1/s1
InChIKey
YIZVLEZXUKBKLQ-GUOLCYNNSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.97845 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98573 170.4
[M+Na]+ 374.96767 183.9
[M+NH4]+ 370.01227 176.9
[M+K]+ 390.94161 181.8
[M-H]- 350.97117 171.7
[M+Na-2H]- 372.95312 172.6
[M]+ 351.97790 173.3
[M]- 351.97900 173.3
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.