CID 501231

2-benzylsulfonylpyridine

Structural Information

Molecular Formula
C12H11NO2S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C12H11NO2S/c14-16(15,12-8-4-5-9-13-12)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
DHGLVTBPYFPTFX-UHFFFAOYSA-N
Compound name
2-benzylsulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

233.05106 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 149.1
[M+Na]+ 256.04028 158.0
[M-H]- 232.04378 154.9
[M+NH4]+ 251.08488 165.9
[M+K]+ 272.01422 153.6
[M+H-H2O]+ 216.04832 141.8
[M+HCOO]- 278.04926 167.2
[M+CH3COO]- 292.06491 185.3
[M+Na-2H]- 254.02573 155.8
[M]+ 233.05051 151.1
[M]- 233.05161 151.1
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