CID 63776260

2-(thiophen-2-yl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₆H₉NO₂S₂

SMILES

C1=CSC(=C1)CCS(=O)(=O)N

InChI

InChI=1S/C6H9NO2S2/c7-11(8,9)5-3-6-2-1-4-10-6/h1-2,4H,3,5H2,(H2,7,8,9)

InChIKey

MUVXKGKUECYBHJ-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 191.00748 Da
Monoisotopic Mass: 0.7
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]+	192.014756	139.2
[M+Na]+	213.996698	148.1
[M-H]-	190.000204	142.5
[M+NH4]+	209.041303	160.5
[M+K]+	229.970638	144.2
[M+H-H2O]+	174.004740	134.0
[M+HCOO]-	236.005681	153.8
[M+CH3COO]-	250.021331	178.0
[M+Na-2H]-	211.982146	140.9
[M]+	191.00693142	140.9
[M]-	191.00802858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe