CID 11321628

4-(pyridin-4-ylsulfanyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1=CC(=CC=C1N)SC2=CC=NC=C2

InChI

InChI=1S/C11H10N2S/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h1-8H,12H2

InChIKey

DYOBZIUDPDIPKN-UHFFFAOYSA-N

Compound name

4-pyridin-4-ylsulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 163
Patents: 202.05647 Da
Monoisotopic Mass: 2.2
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]+	203.063746	140.4
[M+Na]+	225.045688	149.1
[M-H]-	201.049194	145.7
[M+NH4]+	220.090293	158.2
[M+K]+	241.019628	144.1
[M+H-H2O]+	185.053730	133.0
[M+HCOO]-	247.054671	159.8
[M+CH3COO]-	261.070321	153.3
[M+Na-2H]-	223.031136	145.8
[M]+	202.05592142	139.8
[M]-	202.05701858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe