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]+ 283.096476 162.1
[M+Na]+ 305.078418 172.0
[M-H]- 281.081924 170.3
[M+NH4]+ 300.123023 179.1
[M+K]+ 321.052358 169.2
[M+H-H2O]+ 265.086460 155.5
[M+HCOO]- 327.087401 185.1
[M+CH3COO]- 341.103051 197.0
[M+Na-2H]- 303.063866 167.1
[M]+ 282.08865142 167.6
[M]- 282.08974858 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

literature stripe

Patent stripe

patents stripe