CID 73557261

137953-98-1

Structural Information

Molecular Formula
C33H21AlO9
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)O[Al](OC(=O)C3=CC4=CC=CC=C4C=C3O)OC(=O)C5=CC6=CC=CC=C6C=C5O)O
InChI
InChI=1S/3C11H8O3.Al/c3*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h3*1-6,12H,(H,13,14);/q;;;+3/p-3
InChIKey
VZTOOSPICDIMGL-UHFFFAOYSA-K
Compound name
bis[(3-hydroxynaphthalene-2-carbonyl)oxy]alumanyl 3-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

588.1001 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.10738 231.8
[M+Na]+ 611.08932 235.0
[M-H]- 587.09282 239.4
[M+NH4]+ 606.13392 233.7
[M+K]+ 627.06326 233.2
[M+H-H2O]+ 571.09736 218.9
[M+HCOO]- 633.09830 242.5
[M+CH3COO]- 647.11395 236.4
[M+Na-2H]- 609.07477 233.0
[M]+ 588.09955 235.9
[M]- 588.10065 235.9
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.