CID 94987

2871-87-6

Structural Information

Molecular Formula

C₂₁H₁₆O

SMILES

COC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C21H16O/c1-22-16-12-10-15(11-13-16)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-14H,1H3

InChIKey

NKNOIHZBUJIRRY-UHFFFAOYSA-N

Compound name

9-[(4-methoxyphenyl)methylidene]fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 147
Patents: 284.12012 Da
Monoisotopic Mass: 5.1
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]+	285.12740	167.0
[M+Na]+	307.10934	184.3
[M+NH4]+	302.15394	178.1
[M+K]+	323.08328	175.1
[M-H]-	283.11284	173.9
[M+Na-2H]-	305.09479	176.6
[M]+	284.11957	171.8
[M]-	284.12067	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe