CID 29728

2,3-dibromopropyl acrylate

Structural Information

Molecular Formula

C₆H₈Br₂O₂

SMILES

C=CC(=O)OCC(CBr)Br

InChI

InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2

InChIKey

MUKJDVAYJDKPAG-UHFFFAOYSA-N

Compound name

2,3-dibromopropyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 756
Patents: 269.8891 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]+	270.89638	136.8
[M+Na]+	292.87832	147.0
[M-H]-	268.88182	140.8
[M+NH4]+	287.92292	156.6
[M+K]+	308.85226	131.9
[M+H-H2O]+	252.88636	144.6
[M+HCOO]-	314.88730	151.9
[M+CH3COO]-	328.90295	199.2
[M+Na-2H]-	290.86377	142.6
[M]+	269.88855	171.3
[M]-	269.88965	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe