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

literature stripe

Patent stripe

patents stripe