CID 6853

Fluorene

Structural Information

Molecular Formula

C₁₃H₁₀

SMILES

C1C2=CC=CC=C2C3=CC=CC=C31

InChI

InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2

InChIKey

NIHNNTQXNPWCJQ-UHFFFAOYSA-N

Compound name

9H-fluorene

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 1432
References: 132418
Patents: 166.07825 Da
Monoisotopic Mass: 4.2
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]+	167.085526	132.5
[M+Na]+	189.067468	142.2
[M-H]-	165.070974	138.4
[M+NH4]+	184.112073	157.2
[M+K]+	205.041408	137.7
[M+H-H2O]+	149.075510	127.0
[M+HCOO]-	211.076451	156.4
[M+CH3COO]-	225.092101	147.3
[M+Na-2H]-	187.052916	141.5
[M]+	166.07770142	132.5
[M]-	166.07879858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe