CID 515663

1-(4-acetylfluoranthen-8-yl)ethanone

Structural Information

Molecular Formula

C₂₀H₁₄O₂

SMILES

CC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)C

InChI

InChI=1S/C20H14O2/c1-11(21)13-6-7-15-17-5-3-4-16-14(12(2)22)8-9-18(20(16)17)19(15)10-13/h3-10H,1-2H3

InChIKey

QFWMAZYKALPWMZ-UHFFFAOYSA-N

Compound name

1-(4-acetylfluoranthen-8-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 286.09937 Da
Monoisotopic Mass: 4.2
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]+	287.10665	166.5
[M+Na]+	309.08859	176.2
[M-H]-	285.09209	172.8
[M+NH4]+	304.13319	187.5
[M+K]+	325.06253	170.7
[M+H-H2O]+	269.09663	160.0
[M+HCOO]-	331.09757	186.0
[M+CH3COO]-	345.11322	179.0
[M+Na-2H]-	307.07404	170.2
[M]+	286.09882	170.6
[M]-	286.09992	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe