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

222
Patents

193.0009 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.