CID 1893511

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

Structural Information

Molecular Formula
C20H19FO5
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC=CC=C3F)C(=O)OCCOC
InChI
InChI=1S/C20H19FO5/c1-13-19(20(22)24-10-9-23-2)16-11-15(7-8-18(16)26-13)25-12-14-5-3-4-6-17(14)21/h3-8,11H,9-10,12H2,1-2H3
InChIKey
RENBLTUZLQXORK-UHFFFAOYSA-N
Compound name
2-methoxyethyl 5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.12164 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12892 182.3
[M+Na]+ 381.11086 191.9
[M-H]- 357.11436 190.2
[M+NH4]+ 376.15546 196.9
[M+K]+ 397.08480 189.6
[M+H-H2O]+ 341.11890 173.7
[M+HCOO]- 403.11984 204.7
[M+CH3COO]- 417.13549 214.3
[M+Na-2H]- 379.09631 184.7
[M]+ 358.12109 191.3
[M]- 358.12219 191.3
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.