CID 478956

Porric acid c

Structural Information

Molecular Formula

C₁₄H₁₀O₅

SMILES

CC1=CC(=CC2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O

InChI

InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(14(17)18)13(9)19-11/h2-5,15-16H,1H3,(H,17,18)

InChIKey

XERKTCDLFDGUHP-UHFFFAOYSA-N

Compound name

2,7-dihydroxy-9-methyldibenzofuran-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.05283 Da
Monoisotopic Mass: 2.8
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]+	259.060106	152.0
[M+Na]+	281.042048	163.8
[M-H]-	257.045554	156.2
[M+NH4]+	276.086653	170.3
[M+K]+	297.015988	160.7
[M+H-H2O]+	241.050090	147.5
[M+HCOO]-	303.051031	171.4
[M+CH3COO]-	317.066681	190.9
[M+Na-2H]-	279.027496	157.3
[M]+	258.05228142	156.7
[M]-	258.05337858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.