CID 15020157

1-bromo-3-fluoro-5-nitrobenzene

Structural Information

Molecular Formula

C₆H₃BrFNO₂

SMILES

C1=C(C=C(C=C1F)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H3BrFNO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

InChIKey

SWXVEPMSQBEVRH-UHFFFAOYSA-N

Compound name

1-bromo-3-fluoro-5-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 218.93312 Da
Monoisotopic Mass: 2.5
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]+	219.94040	137.0
[M+Na]+	241.92234	141.1
[M+NH4]+	236.96694	141.8
[M+K]+	257.89628	143.2
[M-H]-	217.92584	137.8
[M+Na-2H]-	239.90779	140.5
[M]+	218.93257	136.6
[M]-	218.93367	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe