CID 16487

2134-90-9

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

34
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 173.0
[M+Na]+ 357.05810 184.0
[M+NH4]+ 352.10270 176.4
[M+K]+ 373.03204 182.1
[M-H]- 333.06160 172.4
[M+Na-2H]- 355.04355 175.9
[M]+ 334.06833 174.0
[M]- 334.06943 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe