CID 15230296

154106-40-8

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
C1=CC=C2C(=C1)NC(NS2(=O)=O)C(=O)O
InChI
InChI=1S/C8H8N2O4S/c11-8(12)7-9-5-3-1-2-4-6(5)15(13,14)10-7/h1-4,7,9-10H,(H,11,12)
InChIKey
KHMJUYHKYXZJFI-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.02048 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.027756 143.5
[M+Na]+ 251.009698 152.3
[M-H]- 227.013204 141.5
[M+NH4]+ 246.054303 160.1
[M+K]+ 266.983638 147.7
[M+H-H2O]+ 211.017740 138.3
[M+HCOO]- 273.018681 153.4
[M+CH3COO]- 287.034331 177.3
[M+Na-2H]- 248.995146 148.5
[M]+ 228.01993142 141.2
[M]- 228.02102858 141.2
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