CID 86725081

1396779-67-1

Structural Information

Molecular Formula

C₆H₃BrF₂O₂S

SMILES

C1=CC(=C(C=C1Br)F)S(=O)(=O)F

InChI

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

InChIKey

ZZZTWJUPHPODPU-UHFFFAOYSA-N

Compound name

4-bromo-2-fluorobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	256.90779	132.1
[M+Na]+	278.88973	146.8
[M-H]-	254.89323	137.1
[M+NH4]+	273.93433	153.7
[M+K]+	294.86367	134.8
[M+H-H2O]+	238.89777	131.7
[M+HCOO]-	300.89871	147.5
[M+CH3COO]-	314.91436	186.8
[M+Na-2H]-	276.87518	138.4
[M]+	255.89996	151.1
[M]-	255.90106	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe