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

1
Patents

302.07904 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 164.3
[M+Na]+ 325.06826 172.1
[M-H]- 301.07176 169.2
[M+NH4]+ 320.11286 177.9
[M+K]+ 341.04220 170.0
[M+H-H2O]+ 285.07630 157.0
[M+HCOO]- 347.07724 184.5
[M+CH3COO]- 361.09289 200.8
[M+Na-2H]- 323.05371 165.5
[M]+ 302.07849 168.0
[M]- 302.07959 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.