CID 2063466

2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone

Structural Information

Molecular Formula

C₁₄H₁₁BrO₃

SMILES

C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)Br

InChI

InChI=1S/C14H11BrO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2

InChIKey

GVDMPWQNNRNDOG-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)-1-(2,4-dihydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 25
Patents: 305.98917 Da
Monoisotopic Mass: 3.7
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]+	306.996446	159.8
[M+Na]+	328.978388	170.5
[M-H]-	304.981894	166.8
[M+NH4]+	324.022993	177.1
[M+K]+	344.952328	158.3
[M+H-H2O]+	288.986430	159.1
[M+HCOO]-	350.987371	178.4
[M+CH3COO]-	365.003021	196.2
[M+Na-2H]-	326.963836	164.3
[M]+	305.98862142	177.8
[M]-	305.98971858	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe