CID 16684219

Aluminum, triphenyl-

Structural Information

Molecular Formula

C₁₈H₁₅Al

SMILES

C1=CC=C(C=C1)[Al](C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/3C6H5.Al/c3*1-2-4-6-5-3-1;/h3*1-5H;

InChIKey

JQPMDTQDAXRDGS-UHFFFAOYSA-N

Compound name

triphenylalumane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10314
Patents: 258.0989 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]+	259.10618	158.1
[M+Na]+	281.08812	163.5
[M-H]-	257.09162	166.9
[M+NH4]+	276.13272	174.2
[M+K]+	297.06206	158.1
[M+H-H2O]+	241.09616	149.2
[M+HCOO]-	303.09710	180.9
[M+CH3COO]-	317.11275	169.8
[M+Na-2H]-	279.07357	164.6
[M]+	258.09835	155.3
[M]-	258.09945	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe