CID 13950714

115876-73-8

Structural Information

Molecular Formula

C₆H₂Br₃ClO₂S

SMILES

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

InChI

InChI=1S/C6H2Br3ClO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H

InChIKey

ZQPKHRUYQGPMJS-UHFFFAOYSA-N

Compound name

2,4,6-tribromobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 409.70142 Da
Monoisotopic Mass: 4.0
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]+	410.70870	132.7
[M+Na]+	432.69064	144.0
[M-H]-	408.69414	139.4
[M+NH4]+	427.73524	148.1
[M+K]+	448.66458	126.8
[M+H-H2O]+	392.69868	148.8
[M+HCOO]-	454.69962	138.2
[M+CH3COO]-	468.71527	221.6
[M+Na-2H]-	430.67609	138.7
[M]+	409.70087	176.0
[M]-	409.70197	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe