CID 516036

Schembl8183405

Structural Information

Molecular Formula
C12H12Cl2N2O4
SMILES
C1=CC2=C(C=C1Cl)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H12Cl2N2O4/c13-5-1-2-6-7(3-5)16(12(14)15-6)11-10(19)9(18)8(4-17)20-11/h1-3,8-11,17-19H,4H2/t8-,9-,10-,11-/m1/s1
InChIKey
FFOVOHLMYHGZTB-GWOFURMSSA-N
Compound name
(2R,3R,4S,5R)-2-(2,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

318.01743 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02471 166.6
[M+Na]+ 341.00665 178.8
[M-H]- 317.01015 169.4
[M+NH4]+ 336.05125 181.8
[M+K]+ 356.98059 173.3
[M+H-H2O]+ 301.01469 161.8
[M+HCOO]- 363.01563 174.3
[M+CH3COO]- 377.03128 178.0
[M+Na-2H]- 338.99210 166.3
[M]+ 318.01688 171.2
[M]- 318.01798 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.