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: 9
Patents: 169.94264 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	170.94992	125.6
[M+Na]+	192.93186	134.3
[M-H]-	168.93536	125.5
[M+NH4]+	187.97646	148.4
[M+K]+	208.90580	132.0
[M+H-H2O]+	152.93990	123.4
[M+HCOO]-	214.94084	138.7
[M+CH3COO]-	228.95649	174.0
[M+Na-2H]-	190.91731	130.1
[M]+	169.94209	128.9
[M]-	169.94319	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe