CID 84691410

1785105-96-5

Structural Information

Molecular Formula

C₆H₄ClF₂NO₂S

SMILES

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

InChI

InChI=1S/C6H4ClF2NO2S/c7-13(11,12)5-3-1-2-4(10-5)6(8)9/h1-3,6H

InChIKey

VXPOXHXWLIXHNE-UHFFFAOYSA-N

Compound name

6-(difluoromethyl)pyridine-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.96193 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]+	227.969206	135.3
[M+Na]+	249.951148	146.2
[M-H]-	225.954654	135.9
[M+NH4]+	244.995753	153.6
[M+K]+	265.925088	142.0
[M+H-H2O]+	209.959190	128.7
[M+HCOO]-	271.960131	145.9
[M+CH3COO]-	285.975781	182.7
[M+Na-2H]-	247.936596	139.2
[M]+	226.96138142	137.1
[M]-	226.96247858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.