CID 478957

Porric acid b

Structural Information

Molecular Formula

C₁₅H₁₂O₆

SMILES

CC1=CC(=C(C2=C1C3=C(O2)C(=CC(=C3)O)C(=O)O)O)OC

InChI

InChI=1S/C15H12O6/c1-6-3-10(20-2)12(17)14-11(6)8-4-7(16)5-9(15(18)19)13(8)21-14/h3-5,16-17H,1-2H3,(H,18,19)

InChIKey

YRDAFVVZXCAVIU-UHFFFAOYSA-N

Compound name

2,6-dihydroxy-7-methoxy-9-methyldibenzofuran-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.0634 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]+	289.070676	159.5
[M+Na]+	311.052618	171.3
[M-H]-	287.056124	163.8
[M+NH4]+	306.097223	176.6
[M+K]+	327.026558	168.9
[M+H-H2O]+	271.060660	154.7
[M+HCOO]-	333.061601	178.5
[M+CH3COO]-	347.077251	197.6
[M+Na-2H]-	309.038066	163.7
[M]+	288.06285142	166.3
[M]-	288.06394858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.