CID 87253

17697-12-0

Structural Information

Molecular Formula

C₁₂H₁₀O₃Se₂

SMILES

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

InChI

InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H

InChIKey

FHPZOWOEILXXBD-UHFFFAOYSA-N

Compound name

phenylseleninyl benzeneseleninate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 573
Patents: 361.89603 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]+	362.90331	172.9
[M+Na]+	384.88525	178.3
[M-H]-	360.88875	178.3
[M+NH4]+	379.92985	188.7
[M+K]+	400.85919	175.2
[M+H-H2O]+	344.89329	163.9
[M+HCOO]-	406.89423	194.9
[M+CH3COO]-	420.90988	192.9
[M+Na-2H]-	382.87070	175.9
[M]+	361.89548	173.5
[M]-	361.89658	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe