CID 3059732

77143-61-4

Structural Information

Molecular Formula
C17H14O4
SMILES
COC(=O)CC1=CC2=C(C=C1)OC(=O)C2C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-20-15(18)10-11-7-8-14-13(9-11)16(17(19)21-14)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
InChIKey
KIFVTZZGWSMFOG-UHFFFAOYSA-N
Compound name
methyl 2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.4
[M+Na]+ 305.07842 170.9
[M-H]- 281.08192 171.1
[M+NH4]+ 300.12302 179.7
[M+K]+ 321.05236 168.7
[M+H-H2O]+ 265.08646 155.7
[M+HCOO]- 327.08740 184.2
[M+CH3COO]- 341.10305 199.3
[M+Na-2H]- 303.06387 165.9
[M]+ 282.08865 166.1
[M]- 282.08975 166.1
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.