CID 98452280

1092278-47-1

Structural Information

Molecular Formula

C₆H₃Br₂FO₂S

SMILES

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

InChI

InChI=1S/C6H3Br2FO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H

InChIKey

RSDRPBUYUKBWGY-UHFFFAOYSA-N

Compound name

2,5-dibromobenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.82047 Da
Monoisotopic Mass: 3.1
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]+	316.82775	128.4
[M+Na]+	338.80969	141.9
[M-H]-	314.81319	135.2
[M+NH4]+	333.85429	148.0
[M+K]+	354.78363	125.7
[M+H-H2O]+	298.81773	136.8
[M+HCOO]-	360.81867	140.6
[M+CH3COO]-	374.83432	201.8
[M+Na-2H]-	336.79514	135.8
[M]+	315.81992	163.6
[M]-	315.82102	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.