CID 854513

Ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C19H17FO4
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC=CC=C3F)C
InChI
InChI=1S/C19H17FO4/c1-3-22-19(21)18-12(2)24-17-9-8-14(10-15(17)18)23-11-13-6-4-5-7-16(13)20/h4-10H,3,11H2,1-2H3
InChIKey
XIHRIUXMJXYVLJ-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11108 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11836 174.6
[M+Na]+ 351.10030 184.9
[M-H]- 327.10380 182.7
[M+NH4]+ 346.14490 190.6
[M+K]+ 367.07424 182.1
[M+H-H2O]+ 311.10834 166.5
[M+HCOO]- 373.10928 197.3
[M+CH3COO]- 387.12493 209.2
[M+Na-2H]- 349.08575 177.5
[M]+ 328.11053 181.9
[M]- 328.11163 181.9
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.