CID 13244717

Methyl 2-(3-bromophenyl)propanoate

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C10H11BrO2/c1-7(10(12)13-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3

InChIKey

IQJQUAGEAURVAU-UHFFFAOYSA-N

Compound name

methyl 2-(3-bromophenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 241.99425 Da
Monoisotopic Mass: 3.0
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]+	243.00153	141.5
[M+Na]+	264.98347	144.6
[M+NH4]+	260.02807	146.2
[M+K]+	280.95741	145.2
[M-H]-	240.98697	141.7
[M+Na-2H]-	262.96892	144.9
[M]+	241.99370	140.8
[M]-	241.99480	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe