CID 16683111

Aluminium tris(quinolin-8-olate)

Structural Information

Molecular Formula
C27H18AlN3O3
SMILES
C1=CC2=C(C(=C1)O[Al](OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6)N=CC=C2
InChI
InChI=1S/3C9H7NO.Al/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h3*1-6,11H;/q;;;+3/p-3
InChIKey
TVIVIEFSHFOWTE-UHFFFAOYSA-K
Compound name
tri(quinolin-8-yloxy)alumane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

193
Patents

459.11636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12364 207.9
[M+Na]+ 482.10558 215.0
[M-H]- 458.10908 215.0
[M+NH4]+ 477.15018 213.3
[M+K]+ 498.07952 207.3
[M+H-H2O]+ 442.11362 192.3
[M+HCOO]- 504.11456 222.9
[M+CH3COO]- 518.13021 214.8
[M+Na-2H]- 480.09103 216.9
[M]+ 459.11581 210.6
[M]- 459.11691 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe