CID 82660395

4-ethylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₇ClO₂S₂

SMILES

CCC1=CSC(=C1)S(=O)(=O)Cl

InChI

InChI=1S/C6H7ClO2S2/c1-2-5-3-6(10-4-5)11(7,8)9/h3-4H,2H2,1H3

InChIKey

VKJYJLJFFLPCCZ-UHFFFAOYSA-N

Compound name

4-ethylthiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 209.9576 Da
Monoisotopic Mass: 2.8
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]+	210.96488	144.8
[M+Na]+	232.94682	155.7
[M+NH4]+	227.99142	153.8
[M+K]+	248.92076	147.7
[M-H]-	208.95032	145.6
[M+Na-2H]-	230.93227	148.3
[M]+	209.95705	147.7
[M]-	209.95815	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe