CID 624750

Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C17H14O4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-2-20-17(19)15-13-10-12(18)8-9-14(13)21-16(15)11-6-4-3-5-7-11/h3-10,18H,2H2,1H3
InChIKey
WZZJQHPNLFLEMB-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

23
Patents

282.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.1
[M+Na]+ 305.07842 172.0
[M-H]- 281.08192 170.3
[M+NH4]+ 300.12302 179.1
[M+K]+ 321.05236 169.2
[M+H-H2O]+ 265.08646 155.5
[M+HCOO]- 327.08740 185.1
[M+CH3COO]- 341.10305 197.0
[M+Na-2H]- 303.06387 167.1
[M]+ 282.08865 167.6
[M]- 282.08975 167.6
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.