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

7
Annotation Hits: 235
References: 59139
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	128.3
[M+Na]+	175.05182	138.4
[M-H]-	151.05532	133.8
[M+NH4]+	170.09642	153.9
[M+K]+	191.02576	134.3
[M+H-H2O]+	135.05986	123.1
[M+HCOO]-	197.06080	152.7
[M+CH3COO]-	211.07645	143.6
[M+Na-2H]-	173.03727	138.3
[M]+	152.06205	129.9
[M]-	152.06315	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe