CID 12378

Chloro(methyl)palladium; cyclooctane

Structural Information

Molecular Formula

C₈H₈

SMILES

C1=CC=CC=CC=C1

InChI

InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H

InChIKey

KDUIUFJBNGTBMD-UHFFFAOYSA-N

Compound name

cyclooctatetraene

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 133
References: 12080
Patents: 104.0626 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]+	105.06988	131.1
[M+Na]+	127.05182	136.5
[M-H]-	103.05532	133.2
[M+NH4]+	122.09642	141.6
[M+K]+	143.02576	137.0
[M+H-H2O]+	87.059860	128.2
[M+HCOO]-	149.06080	143.0
[M+CH3COO]-	163.07645	215.3
[M+Na-2H]-	125.03727	134.8
[M]+	104.06205	131.0
[M]-	104.06315	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.