CID 979507

Ethyl 6-bromo-5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula

C₁₉H₁₆BrClO₄

SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC(=CC=C3)Cl)Br)C

InChI

InChI=1S/C19H16BrClO4/c1-3-23-19(22)18-11(2)25-16-9-15(20)17(8-14(16)18)24-10-12-5-4-6-13(21)7-12/h4-9H,3,10H2,1-2H3

InChIKey

BHXREHHBPZPZMG-UHFFFAOYSA-N

Compound name

ethyl 6-bromo-5-[(3-chlorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 421.99203 Da
Monoisotopic Mass: 5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	422.999306	191.0
[M+Na]+	444.981248	205.2
[M-H]-	420.984754	202.6
[M+NH4]+	440.025853	208.1
[M+K]+	460.955188	193.7
[M+H-H2O]+	404.989290	190.7
[M+HCOO]-	466.990231	207.5
[M+CH3COO]-	481.005881	219.1
[M+Na-2H]-	442.966696	193.9
[M]+	421.99148142	219.6
[M]-	421.99257858	219.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.