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]+ 297.11214 167.3
[M+Na]+ 319.09408 175.0
[M-H]- 295.09758 175.9
[M+NH4]+ 314.13868 183.9
[M+K]+ 335.06802 173.1
[M+H-H2O]+ 279.10212 160.5
[M+HCOO]- 341.10306 187.7
[M+CH3COO]- 355.11871 203.2
[M+Na-2H]- 317.07953 169.1
[M]+ 296.10431 170.7
[M]- 296.10541 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.