CID 34866

1,1-dibromopinacolone

Structural Information

Molecular Formula

C₆H₁₀Br₂O

SMILES

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

InChI

InChI=1S/C6H10Br2O/c1-6(2,3)4(9)5(7)8/h5H,1-3H3

InChIKey

WIPDATICDHNWKG-UHFFFAOYSA-N

Compound name

1,1-dibromo-3,3-dimethylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 255.90984 Da
Monoisotopic Mass: 3.0
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]+	256.91712	138.9
[M+Na]+	278.89906	149.4
[M-H]-	254.90256	143.2
[M+NH4]+	273.94366	159.4
[M+K]+	294.87300	134.5
[M+H-H2O]+	238.90710	147.3
[M+HCOO]-	300.90804	152.4
[M+CH3COO]-	314.92369	198.7
[M+Na-2H]-	276.88451	144.8
[M]+	255.90929	172.4
[M]-	255.91039	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe