CID 17299

9-methylfluorene

Structural Information

Molecular Formula

C₁₄H₁₂

SMILES

CC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C14H12/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14/h2-10H,1H3

InChIKey

ZVEJRZRAUYJYCO-UHFFFAOYSA-N

Compound name

9-methyl-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 31
References: 5363
Patents: 180.0939 Da
Monoisotopic Mass: 3.9
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]+	181.10118	137.2
[M+Na]+	203.08312	153.0
[M+NH4]+	198.12772	149.1
[M+K]+	219.05706	145.4
[M-H]-	179.08662	142.1
[M+Na-2H]-	201.06857	145.5
[M]+	180.09335	141.1
[M]-	180.09445	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe