CID 979596

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

Structural Information

Molecular Formula
C20H16BrFO5
SMILES
CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC(=O)C3=CC=C(C=C3)F)Br)C
InChI
InChI=1S/C20H16BrFO5/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
FRERQUCBIQXBDT-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-5-[2-(4-fluorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.0165 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.02378 195.4
[M+Na]+ 457.00572 207.7
[M-H]- 433.00922 205.6
[M+NH4]+ 452.05032 210.6
[M+K]+ 472.97966 197.9
[M+H-H2O]+ 417.01376 193.2
[M+HCOO]- 479.01470 214.2
[M+CH3COO]- 493.03035 223.2
[M+Na-2H]- 454.99117 196.4
[M]+ 434.01595 221.2
[M]- 434.01705 221.2
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.