CID 612908

4-(phenylsulfonyl)pyridine

Structural Information

Molecular Formula

C₁₁H₉NO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=NC=C2

InChI

InChI=1S/C11H9NO2S/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11/h1-9H

InChIKey

GAVOFPGBFXNBPF-UHFFFAOYSA-N

Compound name

4-(benzenesulfonyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 219.0354 Da
Monoisotopic Mass: 1.6
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]+	220.042676	144.7
[M+Na]+	242.024618	154.0
[M-H]-	218.028124	150.6
[M+NH4]+	237.069223	162.0
[M+K]+	257.998558	149.8
[M+H-H2O]+	202.032660	137.5
[M+HCOO]-	264.033601	163.0
[M+CH3COO]-	278.049251	182.3
[M+Na-2H]-	240.010066	151.8
[M]+	219.03485142	146.3
[M]-	219.03594858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe