CID 979566

Ethyl 6-bromo-5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula
C18H15BrO4
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3
InChI
InChI=1S/C18H15BrO4/c1-3-22-18(20)16-12-9-15(21-2)13(19)10-14(12)23-17(16)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChIKey
SNQYVFZLLSKBQL-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

374.01538 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.022656 180.7
[M+Na]+ 397.004598 193.5
[M-H]- 373.008104 192.2
[M+NH4]+ 392.049203 198.5
[M+K]+ 412.978538 183.9
[M+H-H2O]+ 357.012640 179.9
[M+HCOO]- 419.013581 202.0
[M+CH3COO]- 433.029231 211.9
[M+Na-2H]- 394.990046 185.1
[M]+ 374.01483142 206.5
[M]- 374.01592858 206.5
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.