CID 6327608

Benzeneselenol

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: 746
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	124.4
[M+Na]+	179.94486	138.6
[M+NH4]+	174.98946	134.8
[M+K]+	195.91880	130.5
[M-H]-	155.94836	127.9
[M+Na-2H]-	177.93031	133.2
[M]+	156.95509	127.5
[M]-	156.95619	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe