CID 15026

2-methyl-9h-fluorene

Structural Information

Molecular Formula

C₁₄H₁₂

SMILES

CC1=CC2=C(C=C1)C3=CC=CC=C3C2

InChI

InChI=1S/C14H12/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14/h2-8H,9H2,1H3

InChIKey

RKJHJMAZNPASHY-UHFFFAOYSA-N

Compound name

2-methyl-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1356
Patents: 180.0939 Da
Monoisotopic Mass: 4.5
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]+	181.101176	137.2
[M+Na]+	203.083118	147.3
[M-H]-	179.086624	143.3
[M+NH4]+	198.127723	161.6
[M+K]+	219.057058	142.6
[M+H-H2O]+	163.091160	131.7
[M+HCOO]-	225.092101	160.7
[M+CH3COO]-	239.107751	151.9
[M+Na-2H]-	201.068566	144.9
[M]+	180.09335142	137.9
[M]-	180.09444858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe