CID 176953

Fluoranthen-3-ol

Structural Information

Molecular Formula

C₁₆H₁₀O

SMILES

C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)O

InChI

InChI=1S/C16H10O/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9,17H

InChIKey

PQWYZWVBXAOHOU-UHFFFAOYSA-N

Compound name

fluoranthen-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 218.07317 Da
Monoisotopic Mass: 4.5
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]+	219.08045	145.3
[M+Na]+	241.06239	156.1
[M-H]-	217.06589	150.7
[M+NH4]+	236.10699	168.7
[M+K]+	257.03633	150.0
[M+H-H2O]+	201.07043	139.6
[M+HCOO]-	263.07137	166.5
[M+CH3COO]-	277.08702	159.2
[M+Na-2H]-	239.04784	154.0
[M]+	218.07262	147.3
[M]-	218.07372	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe