CID 249418

9-(4-nitrobenzylidene)fluorene

Structural Information

Molecular Formula

C₂₀H₁₃NO₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13NO2/c22-21(23)15-11-9-14(10-12-15)13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H

InChIKey

FBWMQKXKQKOJLO-UHFFFAOYSA-N

Compound name

9-[(4-nitrophenyl)methylidene]fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 299.09464 Da
Monoisotopic Mass: 5.0
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]+	300.10192	169.4
[M+Na]+	322.08386	176.8
[M-H]-	298.08736	178.1
[M+NH4]+	317.12846	187.0
[M+K]+	338.05780	166.3
[M+H-H2O]+	282.09190	165.9
[M+HCOO]-	344.09284	192.9
[M+CH3COO]-	358.10849	199.0
[M+Na-2H]-	320.06931	176.2
[M]+	299.09409	167.8
[M]-	299.09519	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe