CID 3765034

Phenyl 4-pyridylmethyl sulfone

Structural Information

Molecular Formula
C12H11NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)CC2=CC=NC=C2
InChI
InChI=1S/C12H11NO2S/c14-16(15,12-4-2-1-3-5-12)10-11-6-8-13-9-7-11/h1-9H,10H2
InChIKey
ICAWSHPNBFDPBV-UHFFFAOYSA-N
Compound name
4-(benzenesulfonylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.05106 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.