CID 224095

9-bromo-2-nitrofluorene

Structural Information

Molecular Formula

C₁₃H₈BrNO₂

SMILES

C1=CC=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(C2=C1)Br

InChI

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

InChIKey

MQMLOKJKGOPCKW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 288.97385 Da
Monoisotopic Mass: 3.7
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

No literature data available for this compound.

Patent stripe

patents stripe