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]+ 198.021936 134.9
[M+Na]+ 220.003878 145.2
[M-H]- 196.007384 137.3
[M+NH4]+ 215.048483 155.9
[M+K]+ 235.977818 141.4
[M+H-H2O]+ 180.011920 129.9
[M+HCOO]- 242.012861 150.1
[M+CH3COO]- 256.028511 176.0
[M+Na-2H]- 217.989326 141.7
[M]+ 197.01411142 134.9
[M]- 197.01520858 134.9
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