CID 720852

4493-32-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂S

SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3NC2=S

InChI

InChI=1S/C13H10N2S/c16-13-14-11-8-4-5-9-12(11)15(13)10-6-2-1-3-7-10/h1-9H,(H,14,16)

InChIKey

JKIGHOGKGARVAG-UHFFFAOYSA-N

Compound name

3-phenyl-1H-benzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1137
Patents: 226.05647 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.06375	146.6
[M+Na]+	249.04569	163.0
[M+NH4]+	244.09029	156.5
[M+K]+	265.01963	154.0
[M-H]-	225.04919	151.1
[M+Na-2H]-	247.03114	156.1
[M]+	226.05592	150.9
[M]-	226.05702	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe