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

65
Patents

189.95328 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.