CID 18311

3074-03-1

Structural Information

Molecular Formula

C₁₇H₁₀O

SMILES

C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H10O/c18-17-14-8-4-3-7-13(14)15-9-11-5-1-2-6-12(11)10-16(15)17/h1-10H

InChIKey

MLMNDNOSVOKYMT-UHFFFAOYSA-N

Compound name

benzo[b]fluoren-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 143
Patents: 230.07317 Da
Monoisotopic Mass: 4.8
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]+	231.08045	148.5
[M+Na]+	253.06239	159.6
[M-H]-	229.06589	155.7
[M+NH4]+	248.10699	171.7
[M+K]+	269.03633	153.4
[M+H-H2O]+	213.07043	142.2
[M+HCOO]-	275.07137	171.0
[M+CH3COO]-	289.08702	162.6
[M+Na-2H]-	251.04784	156.5
[M]+	230.07262	150.0
[M]-	230.07372	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe