CID 67944

433-17-0

Structural Information

Molecular Formula

C₇H₆N₂O₂S₂

SMILES

C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)N

InChI

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

InChIKey

SDYMYAFSQACTQP-UHFFFAOYSA-N

Compound name

1,3-benzothiazole-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 736
Patents: 213.98708 Da
Monoisotopic Mass: 1.3
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	141.0
[M+Na]+	236.97630	153.2
[M-H]-	212.97980	144.8
[M+NH4]+	232.02090	161.8
[M+K]+	252.95024	148.4
[M+H-H2O]+	196.98434	136.2
[M+HCOO]-	258.98528	155.9
[M+CH3COO]-	273.00093	181.9
[M+Na-2H]-	234.96175	146.2
[M]+	213.98653	144.8
[M]-	213.98763	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe