CID 3002172

5,6-dichloro-3-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1h-benzimidazole-2-thione

Structural Information

Molecular Formula
C12H10Cl2N2O2S
SMILES
C1=C[C@@H](O[C@@H]1CO)N2C3=CC(=C(C=C3NC2=S)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2O2S/c13-7-3-9-10(4-8(7)14)16(12(19)15-9)11-2-1-6(5-17)18-11/h1-4,6,11,17H,5H2,(H,15,19)/t6-,11+/m0/s1
InChIKey
OBEJJUJFOOSXTE-UPONEAKYSA-N
Compound name
5,6-dichloro-3-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.991276 167.4
[M+Na]+ 338.973218 181.3
[M-H]- 314.976724 172.0
[M+NH4]+ 334.017823 184.3
[M+K]+ 354.947158 174.6
[M+H-H2O]+ 298.981260 163.3
[M+HCOO]- 360.982201 173.3
[M+CH3COO]- 374.997851 179.5
[M+Na-2H]- 336.958666 165.8
[M]+ 315.98345142 173.6
[M]- 315.98454858 173.6
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.