CID 2734800

2,2'-thenoin

Structural Information

Molecular Formula

C₁₀H₈O₂S₂

SMILES

C1=CSC(=C1)C(C(=O)C2=CC=CS2)O

InChI

InChI=1S/C10H8O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H

InChIKey

OGWZIOZTPNLTCR-UHFFFAOYSA-N

Compound name

2-hydroxy-1,2-dithiophen-2-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 223.99657 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]+	225.00385	146.4
[M+Na]+	246.98579	156.4
[M+NH4]+	242.03039	155.5
[M+K]+	262.95973	150.8
[M-H]-	222.98929	149.1
[M+Na-2H]-	244.97124	151.8
[M]+	223.99602	149.4
[M]-	223.99712	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe