CID 99849

3-bromo-4-nitrosophenol

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

C1=CC(=C(C=C1O)Br)N=O

InChI

InChI=1S/C6H4BrNO2/c7-5-3-4(9)1-2-6(5)8-10/h1-3,9H

InChIKey

ORVHTCOFHGULQZ-UHFFFAOYSA-N

Compound name

3-bromo-4-nitrosophenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2
Patents: 200.94254 Da
Monoisotopic Mass: 1.6
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]+	201.94982	128.0
[M+Na]+	223.93176	140.7
[M-H]-	199.93526	135.0
[M+NH4]+	218.97636	150.7
[M+K]+	239.90570	130.6
[M+H-H2O]+	183.93980	128.0
[M+HCOO]-	245.94074	152.4
[M+CH3COO]-	259.95639	183.0
[M+Na-2H]-	221.91721	137.6
[M]+	200.94199	147.4
[M]-	200.94309	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe