CID 56843598

Bis(5-(4-chlorobutoxy)picolinato)hydroxyaluminum

Structural Information

Molecular Formula
C20H22AlCl2N2O6
SMILES
C1=CC(=NC=C1OCCCCCl)C(=O)O[Al+]OC(=O)C2=NC=C(C=C2)OCCCCCl
InChI
InChI=1S/2C10H12ClNO3.Al/c2*11-5-1-2-6-15-8-3-4-9(10(13)14)12-7-8;/h2*3-4,7H,1-2,5-6H2,(H,13,14);/q;;+3/p-2
InChIKey
YFXZCYBUECGZNS-UHFFFAOYSA-L
Compound name
bis[[5-(4-chlorobutoxy)pyridine-2-carbonyl]oxy]alumanylium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.06702 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07430 206.3
[M+Na]+ 506.05624 211.2
[M-H]- 482.05974 208.6
[M+NH4]+ 501.10084 212.2
[M+K]+ 522.03018 201.2
[M+H-H2O]+ 466.06428 198.9
[M+HCOO]- 528.06522 215.1
[M+CH3COO]- 542.08087 221.5
[M+Na-2H]- 504.04169 208.9
[M]+ 483.06647 216.9
[M]- 483.06757 216.9
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.