CID 501232

2-benzylsulfonylpyridin-3-ol

Structural Information

Molecular Formula
C12H11NO3S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C12H11NO3S/c14-11-7-4-8-13-12(11)17(15,16)9-10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKey
OJRUJRDDZFCIEF-UHFFFAOYSA-N
Compound name
2-benzylsulfonylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04596 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 152.6
[M+Na]+ 272.03518 161.5
[M-H]- 248.03868 157.2
[M+NH4]+ 267.07978 168.1
[M+K]+ 288.00912 156.9
[M+H-H2O]+ 232.04322 145.5
[M+HCOO]- 294.04416 169.2
[M+CH3COO]- 308.05981 186.0
[M+Na-2H]- 270.02063 158.3
[M]+ 249.04541 154.5
[M]- 249.04651 154.5
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.