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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 145.7
[M+Na]+ 263.00970 156.7
[M-H]- 239.01320 149.4
[M+NH4]+ 258.05430 167.0
[M+K]+ 278.98364 153.5
[M+H-H2O]+ 223.01774 141.0
[M+HCOO]- 285.01868 163.8
[M+CH3COO]- 299.03433 188.8
[M+Na-2H]- 260.99515 149.1
[M]+ 240.01993 149.0
[M]- 240.02103 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.