CID 83530

Aluminum, dichlorohexyl-

Structural Information

Molecular Formula
C6H13AlCl2
SMILES
CCCCCC[Al](Cl)Cl
InChI
InChI=1S/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H/q;+2;;/p-2
InChIKey
VMLUVDHAXSZZSR-UHFFFAOYSA-L
Compound name
dichloro(hexyl)alumane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2475
Patents

182.02097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02825 136.1
[M+Na]+ 205.01019 143.8
[M-H]- 181.01369 135.3
[M+NH4]+ 200.05479 157.9
[M+K]+ 220.98413 139.8
[M+H-H2O]+ 165.01823 133.3
[M+HCOO]- 227.01917 148.9
[M+CH3COO]- 241.03482 180.1
[M+Na-2H]- 202.99564 140.2
[M]+ 182.02042 139.6
[M]- 182.02152 139.6
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