CID 14117915

6-bromo-3,4-dihydro-1,2lambda6,3-benzoxathiazine-2,2,4-trione

Structural Information

Molecular Formula
C7H4BrNO4S
SMILES
C1=CC2=C(C=C1Br)C(=O)NS(=O)(=O)O2
InChI
InChI=1S/C7H4BrNO4S/c8-4-1-2-6-5(3-4)7(10)9-14(11,12)13-6/h1-3H,(H,9,10)
InChIKey
LEEYRZHQZBNJOW-UHFFFAOYSA-N
Compound name
6-bromo-2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.90445 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.91173 132.9
[M+Na]+ 299.89367 147.2
[M-H]- 275.89717 139.0
[M+NH4]+ 294.93827 153.3
[M+K]+ 315.86761 136.7
[M+H-H2O]+ 259.90171 134.5
[M+HCOO]- 321.90265 146.0
[M+CH3COO]- 335.91830 186.8
[M+Na-2H]- 297.87912 142.5
[M]+ 276.90390 153.8
[M]- 276.90500 153.8
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.