CID 74679

Isobutylaluminum dichloride

Structural Information

Molecular Formula
C4H9AlCl2
SMILES
CC(C)C[Al](Cl)Cl
InChI
InChI=1S/C4H9.Al.2ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;;2*1H/q;+2;;/p-2
InChIKey
NMVXHZSPDTXJSJ-UHFFFAOYSA-L
Compound name
dichloro(2-methylpropyl)alumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7540
Patents

153.98967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.99695 126.3
[M+Na]+ 176.97889 134.5
[M-H]- 152.98239 126.0
[M+NH4]+ 172.02349 149.2
[M+K]+ 192.95283 131.5
[M+H-H2O]+ 136.98693 124.1
[M+HCOO]- 198.98787 138.8
[M+CH3COO]- 213.00352 175.0
[M+Na-2H]- 174.96434 130.3
[M]+ 153.98912 128.4
[M]- 153.99022 128.4
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