CID 12409714

498-83-9

Structural Information

Molecular Formula

C₆H₄BrFO₂S

SMILES

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

InChI

InChI=1S/C6H4BrFO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey

AOXWZFUBFROIHA-UHFFFAOYSA-N

Compound name

4-bromobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 237.90994 Da
Monoisotopic Mass: 2.6
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]+	238.917216	129.4
[M+Na]+	260.899158	143.4
[M-H]-	236.902664	135.5
[M+NH4]+	255.943763	151.6
[M+K]+	276.873098	131.8
[M+H-H2O]+	220.907200	129.8
[M+HCOO]-	282.908141	145.9
[M+CH3COO]-	296.923791	183.2
[M+Na-2H]-	258.884606	137.0
[M]+	237.90939142	149.2
[M]-	237.91048858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe