CID 474578

3,4-dihydro-2h-1,2,4-benzothiadiazine-1,1,3-trione

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1=CC=C2C(=C1)NC(=O)NS2(=O)=O
InChI
InChI=1S/C7H6N2O3S/c10-7-8-5-3-1-2-4-6(5)13(11,12)9-7/h1-4H,(H2,8,9,10)
InChIKey
QCHXXLQQTWUIRQ-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

99
Patents

198.00992 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01720 135.8
[M+Na]+ 220.99914 146.2
[M-H]- 197.00264 135.4
[M+NH4]+ 216.04374 154.7
[M+K]+ 236.97308 141.5
[M+H-H2O]+ 181.00718 130.5
[M+HCOO]- 243.00812 148.5
[M+CH3COO]- 257.02377 148.0
[M+Na-2H]- 218.98459 142.5
[M]+ 198.00937 134.1
[M]- 198.01047 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe