CID 596849

4,9-dihydro-1h-fluorene

Structural Information

Molecular Formula

C₁₃H₁₂

SMILES

C1C=CCC2=C1CC3=CC=CC=C23

InChI

InChI=1S/C13H12/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-5,7H,6,8-9H2

InChIKey

RNHYLYLCDJYTBU-UHFFFAOYSA-N

Compound name

4,9-dihydro-1H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 168.0939 Da
Monoisotopic Mass: 2.9
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]+	169.101176	134.0
[M+Na]+	191.083118	142.6
[M-H]-	167.086624	139.5
[M+NH4]+	186.127723	158.5
[M+K]+	207.057058	138.3
[M+H-H2O]+	151.091160	128.4
[M+HCOO]-	213.092101	156.4
[M+CH3COO]-	227.107751	148.2
[M+Na-2H]-	189.068566	141.9
[M]+	168.09335142	132.5
[M]-	168.09444858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe