CID 4782281

852664-20-1

Structural Information

Molecular Formula

C₆H₅ClFNO₂S

SMILES

C1=CC(=C(C=C1Cl)F)S(=O)(=O)N

InChI

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

InChIKey

MASZNIUZKMPEKE-UHFFFAOYSA-N

Compound name

4-chloro-2-fluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 54
Patents: 208.97136 Da
Monoisotopic Mass: 1.5
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]+	209.978636	134.8
[M+Na]+	231.960578	146.0
[M-H]-	207.964084	137.9
[M+NH4]+	227.005183	154.9
[M+K]+	247.934518	141.1
[M+H-H2O]+	191.968620	130.0
[M+HCOO]-	253.969561	149.0
[M+CH3COO]-	267.985211	181.8
[M+Na-2H]-	229.946026	138.9
[M]+	208.97081142	136.5
[M]-	208.97190858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe