CID 15531

Bromoxynil

Structural Information

Molecular Formula

C₇H₃Br₂NO

SMILES

C1=C(C=C(C(=C1Br)O)Br)C#N

InChI

InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

InChIKey

UPMXNNIRAGDFEH-UHFFFAOYSA-N

Compound name

3,5-dibromo-4-hydroxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 149
References: 71087
Patents: 274.85815 Da
Monoisotopic Mass: 3.5
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]+	275.86543	144.7
[M+Na]+	297.84737	141.4
[M+NH4]+	292.89197	145.2
[M+K]+	313.82131	145.0
[M-H]-	273.85087	141.5
[M+Na-2H]-	295.83282	145.2
[M]+	274.85760	141.9
[M]-	274.85870	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe