CID 77077

Aluminum, dibutylchloro-

Structural Information

Molecular Formula
C8H18AlCl
SMILES
CCCC[Al](CCCC)Cl
InChI
InChI=1S/2C4H9.Al.ClH/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;1H/q;;+1;/p-1
InChIKey
VJRUISVXILMZSL-UHFFFAOYSA-M
Compound name
dibutyl(chloro)alumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8231
Patents

176.09125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09853 140.0
[M+Na]+ 199.08047 146.5
[M-H]- 175.08397 139.6
[M+NH4]+ 194.12507 161.8
[M+K]+ 215.05441 143.8
[M+H-H2O]+ 159.08851 136.1
[M+HCOO]- 221.08945 157.2
[M+CH3COO]- 235.10510 181.3
[M+Na-2H]- 197.06592 143.7
[M]+ 176.09070 143.5
[M]- 176.09180 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe