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: 15
Patents: 226.00482 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.01210	144.0
[M+Na]+	248.99404	155.7
[M+NH4]+	244.03864	151.7
[M+K]+	264.96798	147.9
[M-H]-	224.99754	142.9
[M+Na-2H]-	246.97949	149.5
[M]+	226.00427	145.7
[M]-	226.00537	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe