CID 9161

Acenaphthylene

Structural Information

Molecular Formula

C₁₂H₈

SMILES

C1=CC2=C3C(=C1)C=CC3=CC=C2

InChI

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

InChIKey

HXGDTGSAIMULJN-UHFFFAOYSA-N

Compound name

acenaphthylene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 235
References: 41488
Patents: 152.0626 Da
Monoisotopic Mass: 3.7
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]+	153.06988	127.8
[M+Na]+	175.05182	143.6
[M+NH4]+	170.09642	140.0
[M+K]+	191.02576	136.2
[M-H]-	151.05532	132.3
[M+Na-2H]-	173.03727	136.3
[M]+	152.06205	131.6
[M]-	152.06315	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe