CID 735184

Ethyl (5-bromobenzofuran)-2-carboxylate

Structural Information

Molecular Formula

C₁₁H₉BrO₃

SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)Br

InChI

InChI=1S/C11H9BrO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2H2,1H3

InChIKey

XLJWAHXKBCDQNP-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 193
Patents: 267.9735 Da
Monoisotopic Mass: 3.6
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]+	268.980776	150.9
[M+Na]+	290.962718	164.5
[M-H]-	266.966224	159.5
[M+NH4]+	286.007323	173.0
[M+K]+	306.936658	155.3
[M+H-H2O]+	250.970760	151.6
[M+HCOO]-	312.971701	173.2
[M+CH3COO]-	326.987351	192.0
[M+Na-2H]-	288.948166	158.5
[M]+	267.97295142	175.0
[M]-	267.97404858	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe