CID 121514200

935534-33-1

Structural Information

Molecular Formula

C₆H₃BrF₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)F)F)Br

InChI

InChI=1S/C6H3BrF2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H

InChIKey

FAYULLWUAYDEFM-UHFFFAOYSA-N

Compound name

4-bromo-3-fluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.90051 Da
Monoisotopic Mass: 2.5
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]+	256.907786	132.1
[M+Na]+	278.889728	146.8
[M-H]-	254.893234	137.1
[M+NH4]+	273.934333	153.7
[M+K]+	294.863668	134.8
[M+H-H2O]+	238.897770	131.7
[M+HCOO]-	300.898711	147.5
[M+CH3COO]-	314.914361	186.8
[M+Na-2H]-	276.875176	138.4
[M]+	255.89996142	151.1
[M]-	255.90105858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.