CID 211062

2,4-thiophenedisulfonamide

Structural Information

Molecular Formula

C₄H₆N₂O₄S₃

SMILES

C1=C(SC=C1S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C4H6N2O4S3/c5-12(7,8)3-1-4(11-2-3)13(6,9)10/h1-2H,(H2,5,7,8)(H2,6,9,10)

InChIKey

MCNVGCWBRVMJKE-UHFFFAOYSA-N

Compound name

thiophene-2,4-disulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.94897 Da
Monoisotopic Mass: -0.8
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]+	242.95625	151.8
[M+Na]+	264.93819	160.6
[M-H]-	240.94169	153.4
[M+NH4]+	259.98279	169.3
[M+K]+	280.91213	154.3
[M+H-H2O]+	224.94623	146.2
[M+HCOO]-	286.94717	160.0
[M+CH3COO]-	300.96282	186.4
[M+Na-2H]-	262.92364	154.1
[M]+	241.94842	151.1
[M]-	241.94952	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe