CID 687324

Pyridine, 4-(2-(phenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H13NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=NC=C2
InChI
InChI=1S/C13H13NO2S/c15-17(16,13-4-2-1-3-5-13)11-8-12-6-9-14-10-7-12/h1-7,9-10H,8,11H2
InChIKey
RDYRANKGZNQOQA-UHFFFAOYSA-N
Compound name
4-[2-(benzenesulfonyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

247.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 153.6
[M+Na]+ 270.05592 167.8
[M+NH4]+ 265.10052 162.0
[M+K]+ 286.02986 158.5
[M-H]- 246.05942 157.0
[M+Na-2H]- 268.04137 163.2
[M]+ 247.06615 157.2
[M]- 247.06725 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.