CID 135734284

2-(1h-benzimidazol-2-yl)benzenethiol

Structural Information

Molecular Formula
C13H10N2S
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)S
InChI
InChI=1S/C13H10N2S/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)
InChIKey
PDIXBYFWGXOMSE-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.05647 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.063746 146.3
[M+Na]+ 249.045688 158.4
[M-H]- 225.049194 151.4
[M+NH4]+ 244.090293 165.2
[M+K]+ 265.019628 152.1
[M+H-H2O]+ 209.053730 139.5
[M+HCOO]- 271.054671 164.4
[M+CH3COO]- 285.070321 159.8
[M+Na-2H]- 247.031136 151.4
[M]+ 226.05592142 148.8
[M]- 226.05701858 148.8
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

patents stripe