CID 5323807

1,1-dibromo-1-chloro-2-propanone

Structural Information

Molecular Formula

C₃H₃Br₂ClO

SMILES

CC(=O)C(Cl)(Br)Br

InChI

InChI=1S/C3H3Br2ClO/c1-2(7)3(4,5)6/h1H3

InChIKey

DKJGWIKRAGVVKN-UHFFFAOYSA-N

Compound name

1,1-dibromo-1-chloropropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 247.82391 Da
Monoisotopic Mass: 2.1
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]+	248.83119	130.5
[M+Na]+	270.81313	143.2
[M-H]-	246.81663	135.2
[M+NH4]+	265.85773	152.0
[M+K]+	286.78707	126.7
[M+H-H2O]+	230.82117	140.1
[M+HCOO]-	292.82211	142.0
[M+CH3COO]-	306.83776	194.6
[M+Na-2H]-	268.79858	138.6
[M]+	247.82336	165.0
[M]-	247.82446	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe