CID 14530

3',4'-dihydroxyacetophenone

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

CC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3

InChIKey

UCQUAMAQHHEXGD-UHFFFAOYSA-N

Compound name

1-(3,4-dihydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 47
References: 1455
Patents: 152.04735 Da
Monoisotopic Mass: 1.5
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]+	153.05463	128.8
[M+Na]+	175.03657	141.0
[M+NH4]+	170.08117	136.5
[M+K]+	191.01051	136.5
[M-H]-	151.04007	129.4
[M+Na-2H]-	173.02202	134.4
[M]+	152.04680	130.5
[M]-	152.04790	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe