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 159.9
[M+Na]+ 394.93078 173.9
[M-H]- 370.93428 167.0
[M+NH4]+ 389.97538 178.3
[M+K]+ 410.90472 161.6
[M+H-H2O]+ 354.93882 161.3
[M+HCOO]- 416.93976 170.9
[M+CH3COO]- 430.95541 204.4
[M+Na-2H]- 392.91623 162.9
[M]+ 371.94101 179.5
[M]- 371.94211 179.5
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.