CID 45076991

1,3-benzothiazole-6-sulfonamide

Structural Information

Molecular Formula

C₇H₆N₂O₂S₂

SMILES

C1=CC2=C(C=C1S(=O)(=O)N)SC=N2

InChI

InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)

InChIKey

KRRLILAOGRCMFH-UHFFFAOYSA-N

Compound name

1,3-benzothiazole-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 213.98708 Da
Monoisotopic Mass: 0.6
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]+	214.99436	141.6
[M+Na]+	236.97630	152.8
[M+NH4]+	232.02090	150.2
[M+K]+	252.95024	145.7
[M-H]-	212.97980	143.0
[M+Na-2H]-	234.96175	146.7
[M]+	213.98653	144.4
[M]-	213.98763	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe