CID 16683066

Bis(5-(p-chlorophenoxy)picolinato)hydroxyaluminum

Structural Information

Molecular Formula
C24H14AlCl2N2O6
SMILES
C1=CC(=CC=C1OC2=CN=C(C=C2)C(=O)O[Al]OC(=O)C3=NC=C(C=C3)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/2C12H8ClNO3.Al/c2*13-8-1-3-9(4-2-8)17-10-5-6-11(12(15)16)14-7-10;/h2*1-7H,(H,15,16);/q;;+2/p-2
InChIKey
GLXXDAKCMONUDL-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.00446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.01174 211.9
[M+Na]+ 545.99368 219.4
[M-H]- 521.99718 221.0
[M+NH4]+ 541.03828 215.6
[M+K]+ 561.96762 214.1
[M+H-H2O]+ 506.00172 199.1
[M+HCOO]- 568.00266 221.7
[M+CH3COO]- 582.01831 235.2
[M+Na-2H]- 543.97913 213.4
[M]+ 523.00391 221.0
[M]- 523.00501 221.0
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.