CID 1201388

Thiophene-3-sulfonamide

Structural Information

Molecular Formula

C₄H₅NO₂S₂

SMILES

C1=CSC=C1S(=O)(=O)N

InChI

InChI=1S/C4H5NO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H,(H2,5,6,7)

InChIKey

BWJZHYWAXLWLTB-UHFFFAOYSA-N

Compound name

thiophene-3-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 643
Patents: 162.97617 Da
Monoisotopic Mass: 0.2
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]+	163.98345	130.6
[M+Na]+	185.96539	140.4
[M-H]-	161.96889	134.3
[M+NH4]+	181.00999	153.1
[M+K]+	201.93933	137.0
[M+H-H2O]+	145.97343	125.8
[M+HCOO]-	207.97437	145.9
[M+CH3COO]-	221.99002	172.1
[M+Na-2H]-	183.95084	133.2
[M]+	162.97562	131.7
[M]-	162.97672	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe