CID 300737

6-phenylbenzanthrone

Structural Information

Molecular Formula

C₂₃H₁₄O

SMILES

C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C5=CC=CC=C5C3=O)C=C2

InChI

InChI=1S/C23H14O/c24-23-20-11-5-4-10-18(20)19-12-6-9-16-13-14-17(22(23)21(16)19)15-7-2-1-3-8-15/h1-14H

InChIKey

CCAKERBFWMKWSE-UHFFFAOYSA-N

Compound name

6-phenylbenzo[a]phenalen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 306.10446 Da
Monoisotopic Mass: 5.9
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]+	307.111736	171.1
[M+Na]+	329.093678	180.2
[M-H]-	305.097184	179.6
[M+NH4]+	324.138283	188.6
[M+K]+	345.067618	172.6
[M+H-H2O]+	289.101720	161.1
[M+HCOO]-	351.102661	190.0
[M+CH3COO]-	365.118311	182.5
[M+Na-2H]-	327.079126	179.3
[M]+	306.10391142	171.3
[M]-	306.10500858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe