CID 816774

Methyl 3-(4-bromophenyl)acrylate

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

COC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+

InChIKey

MFKOGXVHZUSUAF-QPJJXVBHSA-N

Compound name

methyl (E)-3-(4-bromophenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 239.97859 Da
Monoisotopic Mass: 3.3
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]+	240.98587	141.8
[M+Na]+	262.96781	145.3
[M+NH4]+	258.01241	146.3
[M+K]+	278.94175	145.0
[M-H]-	238.97131	142.0
[M+Na-2H]-	260.95326	145.3
[M]+	239.97804	141.1
[M]-	239.97914	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe