CID 979556

Ethyl 5-(acetyloxy)-6-bromo-2-phenyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C19H15BrO5
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3
InChI
InChI=1S/C19H15BrO5/c1-3-23-19(22)17-13-9-16(24-11(2)21)14(20)10-15(13)25-18(17)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKey
MTBVZESNBUQNOO-UHFFFAOYSA-N
Compound name
ethyl 5-acetyloxy-6-bromo-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

402.01028 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.01756 186.9
[M+Na]+ 424.99950 198.9
[M-H]- 401.00300 198.3
[M+NH4]+ 420.04410 203.3
[M+K]+ 440.97344 189.8
[M+H-H2O]+ 385.00754 185.8
[M+HCOO]- 447.00848 207.1
[M+CH3COO]- 461.02413 216.3
[M+Na-2H]- 422.98495 189.8
[M]+ 402.00973 212.9
[M]- 402.01083 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.