CID 352427

N-(5-bromo-2-hydroxybenzylidene)-2-hydroxyaniline

Structural Information

Molecular Formula

C₁₃H₁₀BrNO₂

SMILES

C1=CC=C(C(=C1)N=CC2=C(C=CC(=C2)Br)O)O

InChI

InChI=1S/C13H10BrNO2/c14-10-5-6-12(16)9(7-10)8-15-11-3-1-2-4-13(11)17/h1-8,16-17H

InChIKey

KUNREMSTGYFZNK-UHFFFAOYSA-N

Compound name

4-bromo-2-[(2-hydroxyphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 290.9895 Da
Monoisotopic Mass: 3.2
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]+	291.99678	155.2
[M+Na]+	313.97872	166.4
[M-H]-	289.98222	163.5
[M+NH4]+	309.02332	173.6
[M+K]+	329.95266	153.9
[M+H-H2O]+	273.98676	154.0
[M+HCOO]-	335.98770	177.3
[M+CH3COO]-	350.00335	196.9
[M+Na-2H]-	311.96417	162.2
[M]+	290.98895	173.1
[M]-	290.99005	173.1

Literature stripe

literature stripe

Patent stripe

patents stripe