CID 625574

160233-28-3

Structural Information

Molecular Formula

C₁₀H₇ClO₄S₃

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H7ClO4S3/c11-18(14,15)10-6-9(7-16-10)17(12,13)8-4-2-1-3-5-8/h1-7H

InChIKey

QTFQOMVQDFBUDL-UHFFFAOYSA-N

Compound name

4-(benzenesulfonyl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 321.9195 Da
Monoisotopic Mass: 2.9
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]+	322.92678	171.9
[M+Na]+	344.90872	182.5
[M+NH4]+	339.95332	179.5
[M+K]+	360.88266	173.5
[M-H]-	320.91222	173.3
[M+Na-2H]-	342.89417	176.5
[M]+	321.91895	175.4
[M]-	321.92005	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe