CID 15080669

4-(pyridin-4-ylsulfanyl)phenol

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1O)SC2=CC=NC=C2

InChI

InChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H

InChIKey

LDMGNZJMTUYLQH-UHFFFAOYSA-N

Compound name

4-pyridin-4-ylsulfanylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 203.04048 Da
Monoisotopic Mass: 2.6
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]+	204.04776	140.7
[M+Na]+	226.02970	156.0
[M+NH4]+	221.07430	150.5
[M+K]+	242.00364	146.1
[M-H]-	202.03320	145.4
[M+Na-2H]-	224.01515	150.7
[M]+	203.03993	144.9
[M]-	203.04103	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe