CID 300580

Mls003106834

Structural Information

Molecular Formula

C₁₃H₈BrNO₂

SMILES

C1C2=CC=CC=C2C3=CC(=C(C=C31)[N+](=O)[O-])Br

InChI

InChI=1S/C13H8BrNO2/c14-12-7-11-9(6-13(12)15(16)17)5-8-3-1-2-4-10(8)11/h1-4,6-7H,5H2

InChIKey

GWFNBKAAFJNZER-UHFFFAOYSA-N

Compound name

3-bromo-2-nitro-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 288.97385 Da
Monoisotopic Mass: 4.1
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]+	289.98113	160.7
[M+Na]+	311.96307	172.6
[M-H]-	287.96657	169.2
[M+NH4]+	307.00767	183.0
[M+K]+	327.93701	157.2
[M+H-H2O]+	271.97111	165.0
[M+HCOO]-	333.97205	182.6
[M+CH3COO]-	347.98770	193.1
[M+Na-2H]-	309.94852	169.3
[M]+	288.97330	179.3
[M]-	288.97440	179.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.