CID 6327608

Phenylselenol

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H

InChIKey

YWBHROUQJYHSOR-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 19
References: 1472
Patents: 156.95564 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]+	157.96292	126.0
[M+Na]+	179.94486	133.8
[M-H]-	155.94836	129.5
[M+NH4]+	174.98946	149.0
[M+K]+	195.91880	132.3
[M+H-H2O]+	139.95290	120.5
[M+HCOO]-	201.95384	150.6
[M+CH3COO]-	215.96949	167.7
[M+Na-2H]-	177.93031	134.3
[M]+	156.95509	125.2
[M]-	156.95619	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe