CID 58267701

4-amino-1,2lambda6,3-benzoxathiazine-2,2-dione

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1=CC=C2C(=C1)C(=NS(=O)(=O)O2)N
InChI
InChI=1S/C7H6N2O3S/c8-7-5-3-1-2-4-6(5)12-13(10,11)9-7/h1-4H,(H2,8,9)
InChIKey
DDDXYJTZHWCMFC-UHFFFAOYSA-N
Compound name
2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.00992 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.017196 133.5
[M+Na]+ 220.999138 144.8
[M-H]- 197.002644 137.9
[M+NH4]+ 216.043743 153.5
[M+K]+ 236.973078 142.8
[M+H-H2O]+ 181.007180 127.8
[M+HCOO]- 243.008121 151.3
[M+CH3COO]- 257.023771 147.7
[M+Na-2H]- 218.984586 142.4
[M]+ 198.00937142 135.9
[M]- 198.01046858 135.9
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

patents stripe