CID 22485765

4-bromothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₂BrClO₂S₂

SMILES

C1=C(SC=C1Br)S(=O)(=O)Cl

InChI

InChI=1S/C4H2BrClO2S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2H

InChIKey

IMVRMHNCGCAEES-UHFFFAOYSA-N

Compound name

4-bromothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 259.83682 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]+	260.84410	130.0
[M+Na]+	282.82604	146.4
[M-H]-	258.82954	138.0
[M+NH4]+	277.87064	154.4
[M+K]+	298.79998	133.0
[M+H-H2O]+	242.83408	133.1
[M+HCOO]-	304.83502	139.4
[M+CH3COO]-	318.85067	183.4
[M+Na-2H]-	280.81149	135.1
[M]+	259.83627	153.1
[M]-	259.83737	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe