CID 5379684

Bis(t-butylcyclopentadienyl)zirconium dichloride

Structural Information

Molecular Formula

C₉H₁₃

SMILES

CC(C)(C)C1=CC=C[CH]1

InChI

InChI=1S/C9H13/c1-9(2,3)8-6-4-5-7-8/h4-7H,1-3H3

InChIKey

PQWNZABUQHJUGL-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 121.10172 Da
Monoisotopic Mass: 3.1
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]+	122.10900	126.7
[M+Na]+	144.09094	138.5
[M+NH4]+	139.13554	136.5
[M+K]+	160.06488	133.8
[M-H]-	120.09444	128.7
[M+Na-2H]-	142.07639	133.6
[M]+	121.10117	129.0
[M]-	121.10227	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.