CID 14195254

1547-91-7

Structural Information

Molecular Formula

C₆H₄F₂O₂S

SMILES

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

InChI

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

InChIKey

FBJGENMTNIFRBP-UHFFFAOYSA-N

Compound name

3-fluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
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]+	178.997276	127.0
[M+Na]+	200.979218	137.7
[M-H]-	176.982724	129.1
[M+NH4]+	196.023823	147.8
[M+K]+	216.953158	134.8
[M+H-H2O]+	160.987260	120.4
[M+HCOO]-	222.988201	144.4
[M+CH3COO]-	237.003851	175.4
[M+Na-2H]-	198.964666	132.2
[M]+	177.98945142	127.1
[M]-	177.99054858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe