CID 580877

166964-37-0

Structural Information

Molecular Formula

C₁₀H₇ClO₄S₃

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)Cl

InChI

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

InChIKey

GSLVRDAYMHUGTF-UHFFFAOYSA-N

Compound name

5-(benzenesulfonyl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 321.9195 Da
Monoisotopic Mass: 3.1
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	172.7
[M+Na]+	344.90872	183.7
[M-H]-	320.91222	179.7
[M+NH4]+	339.95332	189.8
[M+K]+	360.88266	176.3
[M+H-H2O]+	304.91676	168.6
[M+HCOO]-	366.91770	177.0
[M+CH3COO]-	380.93335	194.6
[M+Na-2H]-	342.89417	175.0
[M]+	321.91895	177.6
[M]-	321.92005	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe