CID 3081942

4-fluorobenzenesulfonyl fluoride

Structural Information

Molecular Formula

C₆H₄F₂O₂S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)F

InChI

InChI=1S/C6H4F2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey

AMJKUTUQZZVWMJ-UHFFFAOYSA-N

Compound name

4-fluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 104
Patents: 177.99 Da
Monoisotopic Mass: 1.8
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]+	178.99728	127.0
[M+Na]+	200.97922	137.7
[M-H]-	176.98272	129.1
[M+NH4]+	196.02382	147.8
[M+K]+	216.95316	134.8
[M+H-H2O]+	160.98726	120.4
[M+HCOO]-	222.98820	144.4
[M+CH3COO]-	237.00385	175.4
[M+Na-2H]-	198.96467	132.2
[M]+	177.98945	127.1
[M]-	177.99055	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe