CID 16487

6,6'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxylic acid

Structural Information

Molecular Formula
C16H14O8
SMILES
COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C(=O)O)OC)O)C(=O)O
InChI
InChI=1S/C16H14O8/c1-23-11-5-7(15(19)20)3-9(13(11)17)10-4-8(16(21)22)6-12(24-2)14(10)18/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)
InChIKey
QGCWGSXMGCSFDM-UHFFFAOYSA-N
Compound name
3-(5-carboxy-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

38
Patents

334.06888 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.07616 169.5
[M+Na]+ 357.05810 177.5
[M-H]- 333.06160 172.2
[M+NH4]+ 352.10270 180.5
[M+K]+ 373.03204 175.7
[M+H-H2O]+ 317.06614 162.4
[M+HCOO]- 379.06708 186.8
[M+CH3COO]- 393.08273 204.1
[M+Na-2H]- 355.04355 168.6
[M]+ 334.06833 173.2
[M]- 334.06943 173.2
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.