CID 59821109

1,4-dibromo-2-fluoro-5-nitrobenzene

Structural Information

Molecular Formula

C₆H₂Br₂FNO₂

SMILES

C1=C(C(=CC(=C1Br)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H2Br2FNO2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H

InChIKey

WDFCYQDGGDTTCT-UHFFFAOYSA-N

Compound name

1,4-dibromo-2-fluoro-5-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 296.84363 Da
Monoisotopic Mass: 3.6
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]+	297.85091	144.0
[M+Na]+	319.83285	155.8
[M-H]-	295.83635	150.3
[M+NH4]+	314.87745	162.8
[M+K]+	335.80679	137.2
[M+H-H2O]+	279.84089	154.2
[M+HCOO]-	341.84183	161.2
[M+CH3COO]-	355.85748	198.8
[M+Na-2H]-	317.81830	151.3
[M]+	296.84308	177.1
[M]-	296.84418	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe