CID 6474698

2-amino-2'-hydroxy-5'-bromochalcone

Structural Information

Molecular Formula

C₁₅H₁₂BrNO₂

SMILES

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

InChI

InChI=1S/C15H12BrNO2/c16-11-6-8-15(19)12(9-11)14(18)7-5-10-3-1-2-4-13(10)17/h1-9,19H,17H2/b7-5+

InChIKey

GVDIMLMQCGUFSH-FNORWQNLSA-N

Compound name

(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 317.00513 Da
Monoisotopic Mass: 3.9
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]+	318.012406	164.6
[M+Na]+	339.994348	174.9
[M-H]-	315.997854	172.1
[M+NH4]+	335.038953	181.5
[M+K]+	355.968288	161.5
[M+H-H2O]+	300.002390	163.0
[M+HCOO]-	362.003331	184.6
[M+CH3COO]-	376.018981	202.1
[M+Na-2H]-	337.979796	168.3
[M]+	317.00458142	180.9
[M]-	317.00567858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.