CID 6435751

108051-40-7

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)C(=O)O)O
InChI
InChI=1S/C17H14O7/c1-24-16-6-9(3-5-13(16)19)2-4-12(18)10-7-11(17(22)23)15(21)8-14(10)20/h2-8,19-21H,1H3,(H,22,23)/b4-2+
InChIKey
OASSDTYGNQBLPV-DUXPYHPUSA-N
Compound name
2,4-dihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07394 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.1
[M+Na]+ 353.06316 178.5
[M-H]- 329.06666 173.4
[M+NH4]+ 348.10776 182.2
[M+K]+ 369.03710 174.9
[M+H-H2O]+ 313.07120 164.1
[M+HCOO]- 375.07214 188.2
[M+CH3COO]- 389.08779 201.9
[M+Na-2H]- 351.04861 170.2
[M]+ 330.07339 172.5
[M]- 330.07449 172.5
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.