CID 3040254

1,2-benzisothiazole-3-carboxamide, n-hydroxy-

Structural Information

Molecular Formula

C₈H₆N₂O₂S

SMILES

C1=CC=C2C(=C1)C(=NS2)C(=O)NO

InChI

InChI=1S/C8H6N2O2S/c11-8(9-12)7-5-3-1-2-4-6(5)13-10-7/h1-4,12H,(H,9,11)

InChIKey

WYBCJNBICYZIDA-UHFFFAOYSA-N

Compound name

N-hydroxy-1,2-benzothiazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 194.015 Da
Monoisotopic Mass: 1.4
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]+	195.02228	136.8
[M+Na]+	217.00422	148.3
[M+NH4]+	212.04882	145.3
[M+K]+	232.97816	142.9
[M-H]-	193.00772	138.3
[M+Na-2H]-	214.98967	142.5
[M]+	194.01445	139.1
[M]-	194.01555	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe