CID 979366

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

Structural Information

Molecular Formula
C21H19BrO6
SMILES
CCOC(=O)COC1=C(C=C2C(=C1)C(=C(O2)C3=CC=CC=C3)C(=O)OCC)Br
InChI
InChI=1S/C21H19BrO6/c1-3-25-18(23)12-27-17-10-14-16(11-15(17)22)28-20(13-8-6-5-7-9-13)19(14)21(24)26-4-2/h5-11H,3-4,12H2,1-2H3
InChIKey
AATNJKOJQSMGHQ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-(2-ethoxy-2-oxoethoxy)-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

446.0365 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.04378 193.9
[M+Na]+ 469.02572 197.6
[M+NH4]+ 464.07032 196.3
[M+K]+ 484.99966 199.1
[M-H]- 445.02922 195.8
[M+Na-2H]- 467.01117 195.3
[M]+ 446.03595 193.8
[M]- 446.03705 193.8
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.