CID 16683986

Trihexacosylaluminium

Structural Information

Molecular Formula
C78H159Al
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/3C26H53.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-26H2,2H3;
InChIKey
GMKBFBZIBLGMTG-UHFFFAOYSA-N
Compound name
tri(hexacosyl)alumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1123.2257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1124.2330 384.2
[M+Na]+ 1146.2149 383.2
[M-H]- 1122.2184 347.1
[M+NH4]+ 1141.2595 380.9
[M+K]+ 1162.1889 402.3
[M+H-H2O]+ 1106.2230 379.4
[M+HCOO]- 1168.2239 376.0
[M+CH3COO]- 1182.2396 364.0
[M+Na-2H]- 1144.2004 352.3
[M]+ 1123.2252 385.6
[M]- 1123.2262 385.6
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