CID 10617

Florantyrone

Structural Information

Molecular Formula

C₂₀H₁₄O₃

SMILES

C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C=C(C=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)

InChIKey

QOBAOSCOLAGPKI-UHFFFAOYSA-N

Compound name

4-fluoranthen-8-yl-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 11
References: 221
Patents: 302.0943 Da
Monoisotopic Mass: 3.6
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]+	303.10158	169.7
[M+Na]+	325.08352	177.9
[M-H]-	301.08702	174.3
[M+NH4]+	320.12812	188.9
[M+K]+	341.05746	172.3
[M+H-H2O]+	285.09156	163.2
[M+HCOO]-	347.09250	187.9
[M+CH3COO]-	361.10815	181.1
[M+Na-2H]-	323.06897	173.9
[M]+	302.09375	173.1
[M]-	302.09485	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe