CID 5326317

Phlorisobutyrophenone

Structural Information

Molecular Formula

C₁₀H₁₂O₄

SMILES

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

InChI

InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3

InChIKey

BNEBXEZRBLYBCZ-UHFFFAOYSA-N

Compound name

2-methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 64
Patents: 196.07356 Da
Monoisotopic Mass: 2.1
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]+	197.08084	141.2
[M+Na]+	219.06278	151.9
[M+NH4]+	214.10738	147.4
[M+K]+	235.03672	148.8
[M-H]-	195.06628	140.4
[M+Na-2H]-	217.04823	144.5
[M]+	196.07301	142.2
[M]-	196.07411	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe