CID 289829

2-(benzenesulfonyl)pyridine

Structural Information

Molecular Formula
C11H9NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C11H9NO2S/c13-15(14,10-6-2-1-3-7-10)11-8-4-5-9-12-11/h1-9H
InChIKey
MPTVNPMFAZVTJG-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

235
Patents

219.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04268 144.7
[M+Na]+ 242.02462 154.0
[M-H]- 218.02812 150.6
[M+NH4]+ 237.06922 162.0
[M+K]+ 257.99856 149.8
[M+H-H2O]+ 202.03266 137.5
[M+HCOO]- 264.03360 163.0
[M+CH3COO]- 278.04925 182.3
[M+Na-2H]- 240.01007 151.8
[M]+ 219.03485 146.3
[M]- 219.03595 146.3
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

patents stripe