CID 77343

2,4,6-tribromophenyl acrylate

Structural Information

Molecular Formula

C₉H₅Br₃O₂

SMILES

C=CC(=O)OC1=C(C=C(C=C1Br)Br)Br

InChI

InChI=1S/C9H5Br3O2/c1-2-8(13)14-9-6(11)3-5(10)4-7(9)12/h2-4H,1H2

InChIKey

CNLVUQQHXLTOTC-UHFFFAOYSA-N

Compound name

(2,4,6-tribromophenyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1988
Patents: 381.78397 Da
Monoisotopic Mass: 4.3
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]+	382.79125	153.5
[M+Na]+	404.77319	146.5
[M+NH4]+	399.81779	154.4
[M+K]+	420.74713	155.0
[M-H]-	380.77669	155.0
[M+Na-2H]-	402.75864	154.7
[M]+	381.78342	152.7
[M]-	381.78452	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe