CID 979630

Ethyl 6-bromo-5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C20H16BrClO5
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)C3=CC=C(C=C3)Cl)Br)C
InChI
InChI=1S/C20H16BrClO5/c1-3-25-20(24)19-11(2)27-17-9-15(21)18(8-14(17)19)26-10-16(23)12-4-6-13(22)7-5-12/h4-9H,3,10H2,1-2H3
InChIKey
FMERMOZREUAWSA-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-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

449.98697 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99425 196.4
[M+Na]+ 472.97619 209.8
[M-H]- 448.97969 207.9
[M+NH4]+ 468.02079 212.1
[M+K]+ 488.95013 198.8
[M+H-H2O]+ 432.98423 195.9
[M+HCOO]- 494.98517 212.0
[M+CH3COO]- 509.00082 224.0
[M+Na-2H]- 470.96164 197.9
[M]+ 449.98642 225.4
[M]- 449.98752 225.4
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.