CID 17794125

Methyl-(3-bromomethyl)phenoxyacetate

Structural Information

Molecular Formula

C₁₀H₁₁BrO₃

SMILES

COC(=O)COC1=CC=CC(=C1)CBr

InChI

InChI=1S/C10H11BrO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7H2,1H3

InChIKey

RHYQCZSFWWWVTB-UHFFFAOYSA-N

Compound name

methyl 2-[3-(bromomethyl)phenoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 257.98917 Da
Monoisotopic Mass: 2.3
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	146.3
[M+Na]+	280.97839	149.2
[M+NH4]+	276.02299	150.5
[M+K]+	296.95233	149.4
[M-H]-	256.98189	146.2
[M+Na-2H]-	278.96384	149.4
[M]+	257.98862	145.4
[M]-	257.98972	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe