CID 12216231

5-ethylthiophene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₇ClO₂S₂

SMILES

CCC1=CC=C(S1)S(=O)(=O)Cl

InChI

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

InChIKey

DTRJLPLCPLOEHO-UHFFFAOYSA-N

Compound name

5-ethylthiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
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	141.1
[M+Na]+	232.94682	152.3
[M-H]-	208.95032	145.8
[M+NH4]+	227.99142	163.6
[M+K]+	248.92076	147.6
[M+H-H2O]+	192.95486	137.8
[M+HCOO]-	254.95580	151.0
[M+CH3COO]-	268.97145	178.9
[M+Na-2H]-	230.93227	142.1
[M]+	209.95705	146.6
[M]-	209.95815	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe