CID 604650

37968-97-1

Structural Information

Molecular Formula

C₁₀H₈N₂S

SMILES

C1=CN=CC=C1SC2=CC=NC=C2

InChI

InChI=1S/C10H8N2S/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10/h1-8H

InChIKey

XGJOFCCBFCHEHK-UHFFFAOYSA-N

Compound name

4-pyridin-4-ylsulfanylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 3483
Patents: 188.04082 Da
Monoisotopic Mass: 1.9
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]+	189.04810	136.0
[M+Na]+	211.03004	145.2
[M-H]-	187.03354	140.3
[M+NH4]+	206.07464	153.4
[M+K]+	227.00398	140.9
[M+H-H2O]+	171.03808	128.1
[M+HCOO]-	233.03902	154.2
[M+CH3COO]-	247.05467	149.2
[M+Na-2H]-	209.01549	143.1
[M]+	188.04027	136.8
[M]-	188.04137	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe