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: 128
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	140.2
[M+Na]+	350.74810	157.6
[M-H]-	326.75160	147.5
[M+NH4]+	345.79270	162.6
[M+K]+	366.72204	142.7
[M+H-H2O]+	310.75614	144.9
[M+HCOO]-	372.75708	139.8
[M+CH3COO]-	386.77273	194.8
[M+Na-2H]-	348.73355	142.8
[M]+	327.75833	163.2
[M]-	327.75943	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe