CID 16684188

Aluminum, dichlorophenoxy-

Structural Information

Molecular Formula

C₆H₅AlCl₂O

SMILES

C1=CC=C(C=C1)O[Al](Cl)Cl

InChI

InChI=1S/C6H6O.Al.2ClH/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;2*1H/q;+3;;/p-3

InChIKey

ZPAHTCCOPZRFCE-UHFFFAOYSA-K

Compound name

dichloro(phenoxy)alumane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 189.95328 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]+	190.96056	130.7
[M+Na]+	212.94250	139.8
[M-H]-	188.94600	133.6
[M+NH4]+	207.98710	151.9
[M+K]+	228.91644	135.8
[M+H-H2O]+	172.95054	126.9
[M+HCOO]-	234.95148	145.4
[M+CH3COO]-	248.96713	177.1
[M+Na-2H]-	210.92795	137.5
[M]+	189.95273	133.6
[M]-	189.95383	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe