CID 11287957

201224-76-2

Structural Information

Molecular Formula

C₈H₆N₂O₅S

SMILES

C1=CC2=C(C=C1C(=O)O)S(=O)(=O)NC(=O)N2

InChI

InChI=1S/C8H6N2O5S/c11-7(12)4-1-2-5-6(3-4)16(14,15)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)

InChIKey

IUFVBLNYWMTPOB-UHFFFAOYSA-N

Compound name

1,1,3-trioxo-4H-1lambda6,2,4-benzothiadiazine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 241.99974 Da
Monoisotopic Mass: -0.3
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]+	243.00702	148.1
[M+Na]+	264.98896	158.2
[M+NH4]+	260.03356	154.4
[M+K]+	280.96290	151.6
[M-H]-	240.99246	145.5
[M+Na-2H]-	262.97441	151.3
[M]+	241.99919	148.9
[M]-	242.00029	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe