CID 519295

166964-36-9

Structural Information

Molecular Formula

C₄BrCl₃O₂S₂

SMILES

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

InChI

InChI=1S/C4BrCl3O2S2/c5-1-2(12(8,9)10)4(7)11-3(1)6

InChIKey

NAHZODWKWDZKSZ-UHFFFAOYSA-N

Compound name

4-bromo-2,5-dichlorothiophene-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 327.75888 Da
Monoisotopic Mass: 4.2
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]+	328.76616	148.4
[M+Na]+	350.74810	152.3
[M+NH4]+	345.79270	153.7
[M+K]+	366.72204	150.2
[M-H]-	326.75160	147.5
[M+Na-2H]-	348.73355	149.7
[M]+	327.75833	149.1
[M]-	327.75943	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe