CID 21551506

3-iodothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₂ClIO₂S₂

SMILES

C1=CSC(=C1I)S(=O)(=O)Cl

InChI

InChI=1S/C4H2ClIO2S2/c5-10(7,8)4-3(6)1-2-9-4/h1-2H

InChIKey

XXILRJQKPAFYEO-UHFFFAOYSA-N

Compound name

3-iodothiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.82294 Da
Monoisotopic Mass: 2.6
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]+	308.830216	145.8
[M+Na]+	330.812158	150.5
[M-H]-	306.815664	143.9
[M+NH4]+	325.856763	163.5
[M+K]+	346.786098	151.7
[M+H-H2O]+	290.820200	139.0
[M+HCOO]-	352.821141	151.9
[M+CH3COO]-	366.836791	184.5
[M+Na-2H]-	328.797606	135.8
[M]+	307.82239142	147.9
[M]-	307.82348858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.