CID 478958

Porric acid a

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

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

InChI

InChI=1S/C16H14O6/c1-7-4-11(21-3)13(17)15-12(7)9-5-8(20-2)6-10(16(18)19)14(9)22-15/h4-6,17H,1-3H3,(H,18,19)

InChIKey

SXRYQQFROYXBDQ-UHFFFAOYSA-N

Compound name

6-hydroxy-2,7-dimethoxy-9-methyldibenzofuran-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 302.07904 Da
Monoisotopic Mass: 3.1
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]+	303.086316	163.8
[M+Na]+	325.068258	175.6
[M-H]-	301.071764	169.3
[M+NH4]+	320.112863	181.1
[M+K]+	341.042198	173.8
[M+H-H2O]+	285.076300	158.6
[M+HCOO]-	347.077241	184.0
[M+CH3COO]-	361.092891	202.7
[M+Na-2H]-	323.053706	167.9
[M]+	302.07849142	172.7
[M]-	302.07958858	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe