CID 198367

57864-78-5

Structural Information

Molecular Formula
C8H6N2O4S
SMILES
C1=CC=C2C(=C1)NC(=NS2(=O)=O)C(=O)O
InChI
InChI=1S/C8H6N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
AIARBUCVYFXSIS-UHFFFAOYSA-N
Compound name
1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

226.00482 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01210 141.7
[M+Na]+ 248.99404 152.0
[M-H]- 224.99754 141.5
[M+NH4]+ 244.03864 159.3
[M+K]+ 264.96798 148.0
[M+H-H2O]+ 209.00208 136.2
[M+HCOO]- 271.00302 154.6
[M+CH3COO]- 285.01867 179.2
[M+Na-2H]- 246.97949 148.1
[M]+ 226.00427 142.6
[M]- 226.00537 142.6
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

No patent data available for this compound.