CID 16683973

Aluminum, trioctacosyl-

Structural Information

Molecular Formula
C84H171Al
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C28H57.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-28H2,2H3;
InChIKey
MCJULJJJLMTEFE-UHFFFAOYSA-N
Compound name
tri(octacosyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1207.3196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1208.3269 398.3
[M+Na]+ 1230.3088 396.5
[M-H]- 1206.3123 359.4
[M+NH4]+ 1225.3534 395.3
[M+K]+ 1246.2828 417.9
[M+H-H2O]+ 1190.3169 393.2
[M+HCOO]- 1252.3178 388.5
[M+CH3COO]- 1266.3335 376.2
[M+Na-2H]- 1228.2943 364.9
[M]+ 1207.3191 400.7
[M]- 1207.3201 400.7
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

patents stripe