CID 135398698

17002-50-5

Structural Information

Molecular Formula

C₁₀H₆N₂O₂S₂

SMILES

C1C(=O)N=C(S1)C2=NC3=C(S2)C=C(C=C3)O

InChI

InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2

InChIKey

JJVOROULKOMTKG-UHFFFAOYSA-N

Compound name

2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6057
Patents: 249.98708 Da
Monoisotopic Mass: 2.4
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]+	250.99436	150.3
[M+Na]+	272.97630	163.1
[M+NH4]+	268.02090	159.4
[M+K]+	288.95024	156.6
[M-H]-	248.97980	153.1
[M+Na-2H]-	270.96175	155.6
[M]+	249.98653	153.8
[M]-	249.98763	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe