CID 5272181

Akos020844535

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C=O

InChI

InChI=1S/C15H10O2/c16-9-15(17)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8-9H,7H2

InChIKey

LQRZSOIYGGXDBF-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-2-yl)-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 222.06808 Da
Monoisotopic Mass: 3.2
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]+	223.07536	147.1
[M+Na]+	245.05730	156.7
[M-H]-	221.06080	153.0
[M+NH4]+	240.10190	169.3
[M+K]+	261.03124	152.2
[M+H-H2O]+	205.06534	141.3
[M+HCOO]-	267.06628	169.9
[M+CH3COO]-	281.08193	161.0
[M+Na-2H]-	243.04275	153.1
[M]+	222.06753	149.0
[M]-	222.06863	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.