CID 46188280

2-difluoromethanesulfonylpyridine

Structural Information

Molecular Formula

C₆H₅F₂NO₂S

SMILES

C1=CC=NC(=C1)S(=O)(=O)C(F)F

InChI

InChI=1S/C6H5F2NO2S/c7-6(8)12(10,11)5-3-1-2-4-9-5/h1-4,6H

InChIKey

YRQNSTAWTLXCEZ-UHFFFAOYSA-N

Compound name

2-(difluoromethylsulfonyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 241
Patents: 193.0009 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.00818	131.9
[M+Na]+	215.99012	141.4
[M-H]-	191.99362	132.2
[M+NH4]+	211.03472	150.4
[M+K]+	231.96406	138.9
[M+H-H2O]+	175.99816	124.3
[M+HCOO]-	237.99910	147.1
[M+CH3COO]-	252.01475	177.7
[M+Na-2H]-	213.97557	136.7
[M]+	193.00035	131.5
[M]-	193.00145	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe