CID 7429

2,6-dibromo-4-nitrophenol

Structural Information

Molecular Formula

C₆H₃Br₂NO₃

SMILES

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

InChI

InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

InChIKey

WBHYZUAQCSHXCT-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-nitrophenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 212
Patents: 294.84796 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]+	295.85524	154.6
[M+Na]+	317.83718	149.9
[M+NH4]+	312.88178	156.3
[M+K]+	333.81112	157.8
[M-H]-	293.84068	155.6
[M+Na-2H]-	315.82263	155.1
[M]+	294.84741	153.1
[M]-	294.84851	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe