CID 142597054

6-bromo-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Structural Information

Molecular Formula
C12H9BrN2O5S
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)Br
InChI
InChI=1S/C12H9BrN2O5S/c13-6-1-2-7-9(5-6)21(19,20)15(12(7)18)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4H2,(H,14,16,17)
InChIKey
RQQRFGQZJJZAJT-UHFFFAOYSA-N
Compound name
3-(6-bromo-1,1,3-trioxo-1,2-benzothiazol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.94156 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94884 166.2
[M+Na]+ 394.93078 167.6
[M+NH4]+ 389.97538 169.6
[M+K]+ 410.90472 167.8
[M-H]- 370.93428 164.8
[M+Na-2H]- 392.91623 166.9
[M]+ 371.94101 165.0
[M]- 371.94211 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.