CID 16683934

Trioctadecylaluminum

Structural Information

Molecular Formula
C54H111Al
SMILES
CCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C18H37.Al/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3*1,3-18H2,2H3;
InChIKey
FPTXIDMSUMCELA-UHFFFAOYSA-N
Compound name
trioctadecylalumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

786.8501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 787.85738 318.6
[M+Na]+ 809.83932 321.2
[M-H]- 785.84282 289.7
[M+NH4]+ 804.88392 314.8
[M+K]+ 825.81326 330.7
[M+H-H2O]+ 769.84736 315.5
[M+HCOO]- 831.84830 317.8
[M+CH3COO]- 845.86395 308.0
[M+Na-2H]- 807.82477 294.3
[M]+ 786.84955 318.2
[M]- 786.85065 318.2
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

patents stripe