CID 5743424

5,6-dihydrofluoranthen-6a(4h)-ol

Structural Information

Molecular Formula

C₁₆H₁₄O

SMILES

C1CC2=C3C(=CC=C2)C4=CC=CC=C4C3(C1)O

InChI

InChI=1S/C16H14O/c17-16-10-4-6-11-5-3-8-13(15(11)16)12-7-1-2-9-14(12)16/h1-3,5,7-9,17H,4,6,10H2

InChIKey

OVSQBVKUKPDWKD-UHFFFAOYSA-N

Compound name

5,6-dihydro-4H-fluoranthen-6a-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.10446 Da
Monoisotopic Mass: 3.0
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]+	223.111736	149.1
[M+Na]+	245.093678	158.1
[M-H]-	221.097184	153.7
[M+NH4]+	240.138283	173.9
[M+K]+	261.067618	152.1
[M+H-H2O]+	205.101720	142.9
[M+HCOO]-	267.102661	167.4
[M+CH3COO]-	281.118311	161.9
[M+Na-2H]-	243.079126	157.2
[M]+	222.10391142	148.0
[M]-	222.10500858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe