CID 11715

Bromoacetone

Structural Information

Molecular Formula

SMILES

CC(=O)CBr

InChI

InChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3

InChIKey

VQFAIAKCILWQPZ-UHFFFAOYSA-N

Compound name

1-bromopropan-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 13
References: 5146
Patents: 135.95238 Da
Monoisotopic Mass: 0.7
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]+	136.95966	117.4
[M+Na]+	158.94160	129.4
[M-H]-	134.94510	121.1
[M+NH4]+	153.98620	142.7
[M+K]+	174.91554	120.5
[M+H-H2O]+	118.94964	119.0
[M+HCOO]-	180.95058	139.1
[M+CH3COO]-	194.96623	171.5
[M+Na-2H]-	156.92705	126.1
[M]+	135.95183	136.0
[M]-	135.95293	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe