CID 44828997

Methyl 3-bromo-4-ethoxybenzoate

Structural Information

Molecular Formula

C₁₀H₁₁BrO₃

SMILES

CCOC1=C(C=C(C=C1)C(=O)OC)Br

InChI

InChI=1S/C10H11BrO3/c1-3-14-9-5-4-7(6-8(9)11)10(12)13-2/h4-6H,3H2,1-2H3

InChIKey

NCJZJVWOEXLSKA-UHFFFAOYSA-N

Compound name

methyl 3-bromo-4-ethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 257.98917 Da
Monoisotopic Mass: 2.8
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]+	258.99645	145.6
[M+Na]+	280.97839	148.9
[M+NH4]+	276.02299	149.8
[M+K]+	296.95233	149.3
[M-H]-	256.98189	145.6
[M+Na-2H]-	278.96384	148.6
[M]+	257.98862	144.8
[M]-	257.98972	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe