CID 6478842

2-[(e)-2-(4-hydroxyphenyl)vinyl]-7-methoxy-benzofuran-6-carboxylic acid

Structural Information

Molecular Formula
C18H14O5
SMILES
COC1=C(C=CC2=C1OC(=C2)/C=C/C3=CC=C(C=C3)O)C(=O)O
InChI
InChI=1S/C18H14O5/c1-22-17-15(18(20)21)9-5-12-10-14(23-16(12)17)8-4-11-2-6-13(19)7-3-11/h2-10,19H,1H3,(H,20,21)/b8-4+
InChIKey
UDXMYGJZBTZCAN-XBXARRHUSA-N
Compound name
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-methoxy-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 168.8
[M+Na]+ 333.07336 178.7
[M-H]- 309.07686 175.8
[M+NH4]+ 328.11796 184.0
[M+K]+ 349.04730 175.0
[M+H-H2O]+ 293.08140 162.3
[M+HCOO]- 355.08234 190.2
[M+CH3COO]- 369.09799 200.5
[M+Na-2H]- 331.05881 172.2
[M]+ 310.08359 173.9
[M]- 310.08469 173.9
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.