CID 548439

3,5-dibromosalicylaldoxime

Structural Information

Molecular Formula

C₇H₅Br₂NO₂

SMILES

C1=C(C=C(C(=C1C=NO)O)Br)Br

InChI

InChI=1S/C7H5Br2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H

InChIKey

LRNICNSWROUZCF-UHFFFAOYSA-N

Compound name

2,4-dibromo-6-(hydroxyiminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.8687 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]+	293.87598	136.9
[M+Na]+	315.85792	148.0
[M-H]-	291.86142	142.9
[M+NH4]+	310.90252	155.5
[M+K]+	331.83186	131.8
[M+H-H2O]+	275.86596	144.0
[M+HCOO]-	337.86690	153.7
[M+CH3COO]-	351.88255	201.6
[M+Na-2H]-	313.84337	144.1
[M]+	292.86815	170.2
[M]-	292.86925	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe