CID 847234

30763-03-2

Structural Information

Molecular Formula

C₉H₈N₂O₄S

SMILES

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

InChI

InChI=1S/C9H8N2O4S/c10-8(12)5-11-9(13)6-3-1-2-4-7(6)16(11,14)15/h1-4H,5H2,(H2,10,12)

InChIKey

NYFAVHAAOOLHRQ-UHFFFAOYSA-N

Compound name

2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.02048 Da
Monoisotopic Mass: -0.5
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]+	241.02776	149.4
[M+Na]+	263.00970	158.9
[M+NH4]+	258.05430	157.1
[M+K]+	278.98364	153.0
[M-H]-	239.01320	148.9
[M+Na-2H]-	260.99515	153.2
[M]+	240.01993	150.8
[M]-	240.02103	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.