CID 16685044

87043-37-6

Structural Information

Molecular Formula
C2H6Al2Cl2O
SMILES
C[Al](O[Al](C)Cl)Cl
InChI
InChI=1S/2CH3.2Al.2ClH.O/h2*1H3;;;2*1H;/q;;2*+1;;;/p-2
InChIKey
FKERZMDBJWNJKH-UHFFFAOYSA-L
Compound name
chloro-[chloro(methyl)alumanyl]oxy-methylalumane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.94264 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.949916 125.6
[M+Na]+ 192.931858 134.3
[M-H]- 168.935364 125.5
[M+NH4]+ 187.976463 148.4
[M+K]+ 208.905798 132.0
[M+H-H2O]+ 152.939900 123.4
[M+HCOO]- 214.940841 138.7
[M+CH3COO]- 228.956491 174.0
[M+Na-2H]- 190.917306 130.1
[M]+ 169.94209142 128.9
[M]- 169.94318858 128.9
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