CID 979581

Ethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H17ClO5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H17ClO5/c1-3-24-20(23)19-12(2)26-18-9-8-15(10-16(18)19)25-11-17(22)13-4-6-14(21)7-5-13/h4-10H,3,11H2,1-2H3
InChIKey
CSURGAOZDQSPNY-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07645 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.083726 185.0
[M+Na]+ 395.065668 195.4
[M-H]- 371.069174 194.3
[M+NH4]+ 390.110273 199.9
[M+K]+ 411.039608 191.8
[M+H-H2O]+ 355.073710 178.4
[M+HCOO]- 417.074651 203.2
[M+CH3COO]- 431.090301 215.4
[M+Na-2H]- 393.051116 186.5
[M]+ 372.07590142 196.1
[M]- 372.07699858 196.1
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.