CID 603910

4-bromo-n-hydroxybenzamide

Structural Information

Molecular Formula

C₇H₆BrNO₂

SMILES

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

InChI

InChI=1S/C7H6BrNO2/c8-6-3-1-5(2-4-6)7(10)9-11/h1-4,11H,(H,9,10)

InChIKey

VESPFSJNQMGUCQ-UHFFFAOYSA-N

Compound name

4-bromo-N-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10
Patents: 214.95819 Da
Monoisotopic Mass: 1.0
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]+	215.96547	135.2
[M+Na]+	237.94741	145.9
[M-H]-	213.95091	140.4
[M+NH4]+	232.99201	156.2
[M+K]+	253.92135	135.0
[M+H-H2O]+	197.95545	134.9
[M+HCOO]-	259.95639	156.8
[M+CH3COO]-	273.97204	182.5
[M+Na-2H]-	235.93286	143.0
[M]+	214.95764	152.0
[M]-	214.95874	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe