CID 223078

345-24-4

Structural Information

Molecular Formula

C₆H₂BrF₂NO₂

SMILES

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

InChI

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

InChIKey

OOUUWURPSUSDTD-UHFFFAOYSA-N

Compound name

1-bromo-2,4-difluoro-5-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
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]+	237.930976	137.9
[M+Na]+	259.912918	151.1
[M-H]-	235.916424	142.6
[M+NH4]+	254.957523	158.9
[M+K]+	275.886858	136.4
[M+H-H2O]+	219.920960	140.8
[M+HCOO]-	281.921901	159.9
[M+CH3COO]-	295.937551	183.0
[M+Na-2H]-	257.898366	145.7
[M]+	236.92315142	153.8
[M]-	236.92424858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe