CID 979628

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

Structural Information

Molecular Formula
C19H14BrClO5
SMILES
CC1=C(C2=CC(=C(C=C2O1)Br)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C19H14BrClO5/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
NNZIZUKDOPPTRF-UHFFFAOYSA-N
Compound name
methyl 6-bromo-5-[2-(4-chlorophenyl)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.9713 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.97858 191.6
[M+Na]+ 458.96052 205.5
[M-H]- 434.96402 203.3
[M+NH4]+ 454.00512 207.9
[M+K]+ 474.93446 194.6
[M+H-H2O]+ 418.96856 191.3
[M+HCOO]- 480.96950 207.5
[M+CH3COO]- 494.98515 221.3
[M+Na-2H]- 456.94597 193.7
[M]+ 435.97075 220.3
[M]- 435.97185 220.3
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.