CID 3432447

79726-08-2

Structural Information

Molecular Formula
C8H7NO3S
SMILES
C1NC(=O)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C8H7NO3S/c10-8-6-3-1-2-4-7(6)13(11,12)5-9-8/h1-4H,5H2,(H,9,10)
InChIKey
KYQHKWUPJYJYGX-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1lambda6,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.01466 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.02194 137.7
[M+Na]+ 220.00388 150.2
[M+NH4]+ 215.04848 147.3
[M+K]+ 235.97782 140.7
[M-H]- 196.00738 138.5
[M+Na-2H]- 217.98933 144.1
[M]+ 197.01411 140.2
[M]- 197.01521 140.2
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