CID 979557

Ethyl 5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Structural Information

Molecular Formula

C₁₉H₁₇BrO₄

SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H17BrO4/c1-3-22-19(21)18-12(2)24-17-8-7-15(10-16(17)18)23-11-13-5-4-6-14(20)9-13/h4-10H,3,11H2,1-2H3

InChIKey

XBSKPWSXKFJSEZ-UHFFFAOYSA-N

Compound name

ethyl 5-[(3-bromophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.031 Da
Monoisotopic Mass: 5.1
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]+	389.038276	185.5
[M+Na]+	411.020218	197.9
[M-H]-	387.023724	196.8
[M+NH4]+	406.064823	202.7
[M+K]+	426.994158	188.0
[M+H-H2O]+	371.028260	184.4
[M+HCOO]-	433.029201	206.4
[M+CH3COO]-	447.044851	214.7
[M+Na-2H]-	409.005666	189.3
[M]+	388.03045142	211.6
[M]-	388.03154858	211.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.