CID 458242

6,6'-dimethoxydiphenic acid

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

COC1=CC=CC(=C1C2=C(C=CC=C2OC)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O6/c1-21-11-7-3-5-9(15(17)18)13(11)14-10(16(19)20)6-4-8-12(14)22-2/h3-8H,1-2H3,(H,17,18)(H,19,20)

InChIKey

XWHPDXLPTVOKAK-UHFFFAOYSA-N

Compound name

2-(2-carboxy-6-methoxyphenyl)-3-methoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 302.07904 Da
Monoisotopic Mass: 2.5
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	164.3
[M+Na]+	325.068258	172.1
[M-H]-	301.071764	169.2
[M+NH4]+	320.112863	177.9
[M+K]+	341.042198	170.0
[M+H-H2O]+	285.076300	157.0
[M+HCOO]-	347.077241	184.5
[M+CH3COO]-	361.092891	200.8
[M+Na-2H]-	323.053706	165.5
[M]+	302.07849142	168.0
[M]-	302.07958858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe