CID 3947626

2-pyridyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₆H₄F₃NO₃S

SMILES

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

InChI

InChI=1S/C6H4F3NO3S/c7-6(8,9)14(11,12)13-5-3-1-2-4-10-5/h1-4H

InChIKey

COLRMVLTWJTLFJ-UHFFFAOYSA-N

Compound name

pyridin-2-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 509
Patents: 226.9864 Da
Monoisotopic Mass: 1.9
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]+	227.99368	147.5
[M+Na]+	249.97562	155.5
[M+NH4]+	245.02022	151.9
[M+K]+	265.94956	150.4
[M-H]-	225.97912	142.4
[M+Na-2H]-	247.96107	150.8
[M]+	226.98585	147.3
[M]-	226.98695	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe