CID 25067360

2,4-difluoro-6-nitrobromobenzene

Structural Information

Molecular Formula

C₆H₂BrF₂NO₂

SMILES

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

InChI

InChI=1S/C6H2BrF2NO2/c7-6-4(9)1-3(8)2-5(6)10(11)12/h1-2H

InChIKey

FCYPTYIIKJMNJZ-UHFFFAOYSA-N

Compound name

2-bromo-1,5-difluoro-3-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 236.9237 Da
Monoisotopic Mass: 2.6
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]+	237.93098	137.9
[M+Na]+	259.91292	151.1
[M-H]-	235.91642	142.6
[M+NH4]+	254.95752	158.9
[M+K]+	275.88686	136.4
[M+H-H2O]+	219.92096	140.8
[M+HCOO]-	281.92190	159.9
[M+CH3COO]-	295.93755	183.0
[M+Na-2H]-	257.89837	145.7
[M]+	236.92315	153.8
[M]-	236.92425	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe