CID 321313

Nsc271486

Structural Information

Molecular Formula
C17H14O4
SMILES
CCOC(=O)C1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-2-20-15(18)17(12-8-4-3-5-9-12)13-10-6-7-11-14(13)21-16(17)19/h3-11H,2H2,1H3
InChIKey
UXPQXLBCHCDSSI-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-3-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 162.7
[M+Na]+ 305.07842 171.4
[M-H]- 281.08192 171.5
[M+NH4]+ 300.12302 181.9
[M+K]+ 321.05236 169.3
[M+H-H2O]+ 265.08646 156.2
[M+HCOO]- 327.08740 184.6
[M+CH3COO]- 341.10305 197.6
[M+Na-2H]- 303.06387 168.0
[M]+ 282.08865 166.3
[M]- 282.08975 166.3
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.