CID 703285

308296-18-6

Structural Information

Molecular Formula
C18H15FO4
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OCC3=CC(=CC=C3)F)C(=O)OC
InChI
InChI=1S/C18H15FO4/c1-11-17(18(20)21-2)15-9-14(6-7-16(15)23-11)22-10-12-4-3-5-13(19)8-12/h3-9H,10H2,1-2H3
InChIKey
NXVNNCCYTPCGSN-UHFFFAOYSA-N
Compound name
methyl 5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09543 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10271 169.8
[M+Na]+ 337.08465 180.5
[M-H]- 313.08815 178.1
[M+NH4]+ 332.12925 186.3
[M+K]+ 353.05859 177.9
[M+H-H2O]+ 297.09269 161.9
[M+HCOO]- 359.09363 192.8
[M+CH3COO]- 373.10928 206.3
[M+Na-2H]- 335.07010 173.2
[M]+ 314.09488 176.7
[M]- 314.09598 176.7
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.