CID 54759060

4-bromo-5-fluoro-2-nitrophenol

Structural Information

Molecular Formula

C₆H₃BrFNO₃

SMILES

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

InChI

InChI=1S/C6H3BrFNO3/c7-3-1-5(9(11)12)6(10)2-4(3)8/h1-2,10H

InChIKey

ZMSFGDZCAYKXOE-UHFFFAOYSA-N

Compound name

4-bromo-5-fluoro-2-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 234.92802 Da
Monoisotopic Mass: 2.7
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]+	235.93530	140.8
[M+Na]+	257.91724	144.3
[M+NH4]+	252.96184	144.8
[M+K]+	273.89118	147.3
[M-H]-	233.92074	140.7
[M+Na-2H]-	255.90269	143.1
[M]+	234.92747	140.0
[M]-	234.92857	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe