CID 16683029

Alufibrate

Structural Information

Molecular Formula
C20H20AlCl2O6
SMILES
CC(C)(C(=O)O[Al]OC(=O)C(C)(C)OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/2C10H11ClO3.Al/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;/h2*3-6H,1-2H3,(H,12,13);/q;;+2/p-2
InChIKey
SFNPXVMGKZAHTI-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

454
Patents

453.04523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.05251 199.1
[M+Na]+ 476.03445 211.3
[M+NH4]+ 471.07905 204.2
[M+K]+ 492.00839 206.0
[M-H]- 452.03795 199.8
[M+Na-2H]- 474.01990 204.9
[M]+ 453.04468 201.7
[M]- 453.04578 201.7
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.