CID 34804

2-fluorenecarboxaldehyde

Structural Information

Molecular Formula

C₁₄H₁₀O

SMILES

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

InChI

InChI=1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2

InChIKey

MNQGEQSXFDKAPY-UHFFFAOYSA-N

Compound name

9H-fluorene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 610
Patents: 194.07317 Da
Monoisotopic Mass: 3.3
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]+	195.080446	139.6
[M+Na]+	217.062388	149.9
[M-H]-	193.065894	145.7
[M+NH4]+	212.106993	163.3
[M+K]+	233.036328	145.2
[M+H-H2O]+	177.070430	134.0
[M+HCOO]-	239.071371	163.5
[M+CH3COO]-	253.087021	154.2
[M+Na-2H]-	215.047836	147.3
[M]+	194.07262142	141.1
[M]-	194.07371858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe