CID 139595199

Dtxsid601028251

Structural Information

Molecular Formula

C₇H₄N₂O₃S

SMILES

C1=CC(=C(C2=C1N=NS2)C(=O)O)O

InChI

InChI=1S/C7H4N2O3S/c10-4-2-1-3-6(13-9-8-3)5(4)7(11)12/h1-2,10H,(H,11,12)

InChIKey

HCRQCHKYYSODDN-UHFFFAOYSA-N

Compound name

6-hydroxy-1,2,3-benzothiadiazole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 195.99426 Da
Monoisotopic Mass: 1.6
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]+	197.001536	135.3
[M+Na]+	218.983478	147.2
[M-H]-	194.986984	136.2
[M+NH4]+	214.028083	154.6
[M+K]+	234.957418	143.6
[M+H-H2O]+	178.991520	130.0
[M+HCOO]-	240.992461	151.8
[M+CH3COO]-	255.008111	148.9
[M+Na-2H]-	216.968926	139.7
[M]+	195.99371142	139.1
[M]-	195.99480858	139.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.