CID 23127

2-bromo-7-nitrofluorene

Structural Information

Molecular Formula

C₁₃H₈BrNO₂

SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)Br

InChI

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

InChIKey

QTQRHYLAOSURLC-UHFFFAOYSA-N

Compound name

2-bromo-7-nitro-9H-fluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 288.97385 Da
Monoisotopic Mass: 4.2
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]+	289.981126	160.7
[M+Na]+	311.963068	172.6
[M-H]-	287.966574	169.2
[M+NH4]+	307.007673	183.0
[M+K]+	327.937008	157.2
[M+H-H2O]+	271.971110	165.0
[M+HCOO]-	333.972051	182.6
[M+CH3COO]-	347.987701	193.1
[M+Na-2H]-	309.948516	169.3
[M]+	288.97330142	179.3
[M]-	288.97439858	179.3

Literature stripe

literature stripe

Patent stripe

patents stripe