CID 12472902

2,3',4,4'-tetrahydroxybenzophenone

Structural Information

Molecular Formula

C₁₃H₁₀O₅

SMILES

C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)O)O

InChI

InChI=1S/C13H10O5/c14-8-2-3-9(11(16)6-8)13(18)7-1-4-10(15)12(17)5-7/h1-6,14-17H

InChIKey

UQQYIAVMUUJWGX-UHFFFAOYSA-N

Compound name

(2,4-dihydroxyphenyl)-(3,4-dihydroxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 233
Patents: 246.05283 Da
Monoisotopic Mass: 2.2
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]+	247.060106	150.7
[M+Na]+	269.042048	159.1
[M-H]-	245.045554	153.3
[M+NH4]+	264.086653	165.4
[M+K]+	285.015988	155.2
[M+H-H2O]+	229.050090	144.5
[M+HCOO]-	291.051031	169.5
[M+CH3COO]-	305.066681	184.9
[M+Na-2H]-	267.027496	153.4
[M]+	246.05228142	149.5
[M]-	246.05337858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe