CID 527610

Allyl bromoacetate

Structural Information

Molecular Formula

SMILES

C=CCOC(=O)CBr

InChI

InChI=1S/C5H7BrO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

InChIKey

MUWVIMJPXKIXJK-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-bromoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 287
Patents: 177.96294 Da
Monoisotopic Mass: 1.6
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]+	178.97022	129.0
[M+Na]+	200.95216	130.5
[M+NH4]+	195.99676	133.1
[M+K]+	216.92610	131.4
[M-H]-	176.95566	126.8
[M+Na-2H]-	198.93761	130.1
[M]+	177.96239	127.2
[M]-	177.96349	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe