CID 13621276

93670-11-2

Structural Information

Molecular Formula

C₁₁H₁₁BrO₃

SMILES

CCOC(=O)C1COC2=C1C=C(C=C2)Br

InChI

InChI=1S/C11H11BrO3/c1-2-14-11(13)9-6-15-10-4-3-7(12)5-8(9)10/h3-5,9H,2,6H2,1H3

InChIKey

GLZYBYZLXGPTCX-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-2,3-dihydro-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 269.98917 Da
Monoisotopic Mass: 2.5
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]+	270.99645	154.2
[M+Na]+	292.97839	165.9
[M-H]-	268.98189	162.1
[M+NH4]+	288.02299	176.0
[M+K]+	308.95233	156.9
[M+H-H2O]+	252.98643	154.9
[M+HCOO]-	314.98737	173.8
[M+CH3COO]-	329.00302	192.6
[M+Na-2H]-	290.96384	160.0
[M]+	269.98862	175.5
[M]-	269.98972	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe