CID 979632

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

Structural Information

Molecular Formula
C19H14BrFO5
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C19H14BrFO5/c1-10-18(19(23)24-2)13-7-17(14(20)8-16(13)26-10)25-9-15(22)11-3-5-12(21)6-4-11/h3-8H,9H2,1-2H3
InChIKey
REFBBTVJOHESOS-UHFFFAOYSA-N
Compound name
methyl 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

420.00085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.00813 190.6
[M+Na]+ 442.99007 203.4
[M-H]- 418.99357 201.0
[M+NH4]+ 438.03467 206.4
[M+K]+ 458.96401 193.7
[M+H-H2O]+ 402.99811 188.6
[M+HCOO]- 464.99905 209.7
[M+CH3COO]- 479.01470 220.5
[M+Na-2H]- 440.97552 192.2
[M]+ 420.00030 216.1
[M]- 420.00140 216.1
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.