CID 146049643

2411278-53-8

Structural Information

Molecular Formula

C₆H₅ClFNO₂S

SMILES

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

InChI

InChI=1S/C6H5ClFNO2S/c7-4-5-2-1-3-6(9-5)12(8,10)11/h1-3H,4H2

InChIKey

VLNYAUKKRIHFLO-UHFFFAOYSA-N

Compound name

6-(chloromethyl)pyridine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.97136 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]+	209.97864	134.3
[M+Na]+	231.96058	145.5
[M-H]-	207.96408	136.3
[M+NH4]+	227.00518	153.5
[M+K]+	247.93452	141.2
[M+H-H2O]+	191.96862	128.6
[M+HCOO]-	253.96956	146.9
[M+CH3COO]-	267.98521	179.1
[M+Na-2H]-	229.94603	139.7
[M]+	208.97081	137.8
[M]-	208.97191	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.