CID 365389

2-pyridyl 4-methylphenyl sulfone

Structural Information

Molecular Formula
C12H11NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C12H11NO2S/c1-10-5-7-11(8-6-10)16(14,15)12-4-2-3-9-13-12/h2-9H,1H3
InChIKey
PRPHNXQPIJBYSW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfonylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

233.05106 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 148.8
[M+Na]+ 256.04028 158.5
[M-H]- 232.04378 154.9
[M+NH4]+ 251.08488 165.8
[M+K]+ 272.01422 154.2
[M+H-H2O]+ 216.04832 141.6
[M+HCOO]- 278.04926 166.8
[M+CH3COO]- 292.06491 186.4
[M+Na-2H]- 254.02573 154.7
[M]+ 233.05051 151.2
[M]- 233.05161 151.2
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

No patent data available for this compound.