CID 15470385

Tetrafluoropyridine-4-sulfonylchloride

Structural Information

Molecular Formula

C₅ClF₄NO₂S

SMILES

C1(=C(C(=C(N=C1F)F)F)S(=O)(=O)Cl)F

InChI

InChI=1S/C5ClF4NO2S/c6-14(12,13)3-1(7)4(9)11-5(10)2(3)8

InChIKey

IMIQQZRLTJZAHZ-UHFFFAOYSA-N

Compound name

2,3,5,6-tetrafluoropyridine-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.92744 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]+	249.93472	133.7
[M+Na]+	271.91666	147.7
[M-H]-	247.92016	132.5
[M+NH4]+	266.96126	151.7
[M+K]+	287.89060	142.5
[M+H-H2O]+	231.92470	125.9
[M+HCOO]-	293.92564	143.3
[M+CH3COO]-	307.94129	188.1
[M+Na-2H]-	269.90211	136.1
[M]+	248.92689	134.5
[M]-	248.92799	134.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.