CID 1382090

89488-04-0

Structural Information

Molecular Formula

C₆H₅N₃O₂S₂

SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)N

InChI

InChI=1S/C6H5N3O2S2/c7-13(10,11)5-3-1-2-4-6(5)9-12-8-4/h1-3H,(H2,7,10,11)

InChIKey

HFYJNZZVHIQBHE-UHFFFAOYSA-N

Compound name

2,1,3-benzothiadiazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 214.98232 Da
Monoisotopic Mass: 0.4
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]+	215.989596	140.5
[M+Na]+	237.971538	153.3
[M-H]-	213.975044	143.2
[M+NH4]+	233.016143	160.0
[M+K]+	253.945478	148.6
[M+H-H2O]+	197.979580	135.3
[M+HCOO]-	259.980521	154.6
[M+CH3COO]-	273.996171	154.1
[M+Na-2H]-	235.956986	146.1
[M]+	214.98177142	144.4
[M]-	214.98286858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe