CID 66791073

875916-51-1

Structural Information

Molecular Formula

C₁₀H₉BrCl₂O

SMILES

CC(C)(C(=O)C1=CC(=C(C=C1)Cl)Cl)Br

InChI

InChI=1S/C10H9BrCl2O/c1-10(2,11)9(14)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3

InChIKey

PHLCOZNKCZTJSX-UHFFFAOYSA-N

Compound name

2-bromo-1-(3,4-dichlorophenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 293.9214 Da
Monoisotopic Mass: 4.5
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]+	294.92868	150.1
[M+Na]+	316.91062	164.2
[M-H]-	292.91412	156.5
[M+NH4]+	311.95522	171.2
[M+K]+	332.88456	150.1
[M+H-H2O]+	276.91866	152.5
[M+HCOO]-	338.91960	160.7
[M+CH3COO]-	352.93525	196.9
[M+Na-2H]-	314.89607	156.0
[M]+	293.92085	171.9
[M]-	293.92195	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe