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: 125
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]+	203.06375	140.4
[M+Na]+	225.04569	149.1
[M-H]-	201.04919	145.7
[M+NH4]+	220.09029	158.2
[M+K]+	241.01963	144.1
[M+H-H2O]+	185.05373	133.0
[M+HCOO]-	247.05467	159.8
[M+CH3COO]-	261.07032	153.3
[M+Na-2H]-	223.03114	145.8
[M]+	202.05592	139.8
[M]-	202.05702	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe