CID 3059735

77143-64-7

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(C1=CC2=C(C=C1)OC(=O)C2C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C18H16O4/c1-11(17(19)21-2)13-8-9-15-14(10-13)16(18(20)22-15)12-6-4-3-5-7-12/h3-11,16H,1-2H3
InChIKey
GSUFWCLBDQWFTB-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 167.3
[M+Na]+ 319.094078 175.0
[M-H]- 295.097584 175.9
[M+NH4]+ 314.138683 183.9
[M+K]+ 335.068018 173.1
[M+H-H2O]+ 279.102120 160.5
[M+HCOO]- 341.103061 187.7
[M+CH3COO]- 355.118711 203.2
[M+Na-2H]- 317.079526 169.1
[M]+ 296.10431142 170.7
[M]- 296.10540858 170.7
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.