CID 135734284

5918-45-6

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

12
Patents

226.05647 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06375 146.6
[M+Na]+ 249.04569 163.0
[M+NH4]+ 244.09029 156.8
[M+K]+ 265.01963 154.1
[M-H]- 225.04919 151.4
[M+Na-2H]- 247.03114 156.2
[M]+ 226.05592 151.0
[M]- 226.05702 151.0
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