CID 363699

Nsc628814

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

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

InChI

InChI=1S/C14H9NO2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H

InChIKey

SXLZNMGEYGLGRR-UHFFFAOYSA-N

Compound name

9-(nitromethylidene)fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.06332 Da
Monoisotopic Mass: 3.1
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]+	224.07060	146.9
[M+Na]+	246.05254	155.3
[M-H]-	222.05604	152.8
[M+NH4]+	241.09714	168.2
[M+K]+	262.02648	146.6
[M+H-H2O]+	206.06058	145.5
[M+HCOO]-	268.06152	171.5
[M+CH3COO]-	282.07717	183.6
[M+Na-2H]-	244.03799	155.6
[M]+	223.06277	145.7
[M]-	223.06387	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.