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]+ 316.99128 167.4
[M+Na]+ 338.97322 181.3
[M-H]- 314.97672 172.0
[M+NH4]+ 334.01782 184.3
[M+K]+ 354.94716 174.6
[M+H-H2O]+ 298.98126 163.3
[M+HCOO]- 360.98220 173.3
[M+CH3COO]- 374.99785 179.5
[M+Na-2H]- 336.95867 165.8
[M]+ 315.98345 173.6
[M]- 315.98455 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.