CID 117972

3,4-dihydro-2h-1lambda6,2-benzothiazine-1,1,3-trione

Structural Information

Molecular Formula
C8H7NO3S
SMILES
C1C2=CC=CC=C2S(=O)(=O)NC1=O
InChI
InChI=1S/C8H7NO3S/c10-8-5-6-3-1-2-4-7(6)13(11,12)9-8/h1-4H,5H2,(H,9,10)
InChIKey
JBWSEIGJTHGZRV-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-1lambda6,2-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
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 134.9
[M+Na]+ 220.00388 145.2
[M-H]- 196.00738 137.3
[M+NH4]+ 215.04848 155.9
[M+K]+ 235.97782 141.4
[M+H-H2O]+ 180.01192 129.9
[M+HCOO]- 242.01286 150.1
[M+CH3COO]- 256.02851 176.0
[M+Na-2H]- 217.98933 141.7
[M]+ 197.01411 134.9
[M]- 197.01521 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