CID 5272997

Chembl3314696

Structural Information

Molecular Formula

C₁₂H₁₀O₂Se₂

SMILES

C1=CC=C(C(=C1)O)[Se][Se]C2=CC=CC=C2O

InChI

InChI=1S/C12H10O2Se2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8,13-14H

InChIKey

WXLMISPTCQITOI-UHFFFAOYSA-N

Compound name

2-[(2-hydroxyphenyl)diselanyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 345.90112 Da
Monoisotopic Mass: None
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]+	346.90840	170.7
[M+Na]+	368.89034	177.3
[M-H]-	344.89384	174.0
[M+NH4]+	363.93494	186.7
[M+K]+	384.86428	172.1
[M+H-H2O]+	328.89838	162.7
[M+HCOO]-	390.89932	191.1
[M+CH3COO]-	404.91497	187.8
[M+Na-2H]-	366.87579	173.9
[M]+	345.90057	169.6
[M]-	345.90167	169.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.