CID 137951615

3,5-dichloropyridine-4-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₂Cl₂FNO₂S

SMILES

C1=C(C(=C(C=N1)Cl)S(=O)(=O)F)Cl

InChI

InChI=1S/C5H2Cl2FNO2S/c6-3-1-9-2-4(7)5(3)12(8,10)11/h1-2H

InChIKey

KIRBQDFDBMEMSK-UHFFFAOYSA-N

Compound name

3,5-dichloropyridine-4-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.91673 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]+	229.924006	134.2
[M+Na]+	251.905948	146.7
[M-H]-	227.909454	136.1
[M+NH4]+	246.950553	153.1
[M+K]+	267.879888	141.5
[M+H-H2O]+	211.913990	129.7
[M+HCOO]-	273.914931	142.0
[M+CH3COO]-	287.930581	182.1
[M+Na-2H]-	249.891396	138.7
[M]+	228.91618142	138.4
[M]-	228.91727858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.