CID 20428669

Methyl 2-bromo-5-methoxy-4-methylbenzoate

Structural Information

Molecular Formula

C₁₀H₁₁BrO₃

SMILES

CC1=CC(=C(C=C1OC)C(=O)OC)Br

InChI

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

InChIKey

PVSLEQAPQWFIEI-UHFFFAOYSA-N

Compound name

methyl 2-bromo-5-methoxy-4-methylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	145.0
[M+Na]+	280.97839	148.7
[M+NH4]+	276.02299	149.3
[M+K]+	296.95233	149.3
[M-H]-	256.98189	145.1
[M+Na-2H]-	278.96384	147.9
[M]+	257.98862	144.3
[M]-	257.98972	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe