CID 3050831

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

Structural Information

Molecular Formula
C13H13NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CCC2=CC=CC=N2
InChI
InChI=1S/C13H13NO2S/c15-17(16,13-7-2-1-3-8-13)11-9-12-6-4-5-10-14-12/h1-8,10H,9,11H2
InChIKey
QFPRZCGOFRXRJN-UHFFFAOYSA-N
Compound name
2-[2-(benzenesulfonyl)ethyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

247.0667 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 153.6
[M+Na]+ 270.05592 162.0
[M-H]- 246.05942 159.1
[M+NH4]+ 265.10052 169.8
[M+K]+ 286.02986 157.4
[M+H-H2O]+ 230.06396 146.0
[M+HCOO]- 292.06490 171.3
[M+CH3COO]- 306.08055 188.3
[M+Na-2H]- 268.04137 159.7
[M]+ 247.06615 155.9
[M]- 247.06725 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe