CID 14972767

2633-42-3

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC1=C(C(=CC=C1)C)C(=O)CBr

InChI

InChI=1S/C10H11BrO/c1-7-4-3-5-8(2)10(7)9(12)6-11/h3-5H,6H2,1-2H3

InChIKey

YSICJHNHYWMNBM-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,6-dimethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 225.99933 Da
Monoisotopic Mass: 3.1
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]+	227.00661	138.9
[M+Na]+	248.98855	143.1
[M+NH4]+	244.03315	144.2
[M+K]+	264.96249	142.6
[M-H]-	224.99205	139.9
[M+Na-2H]-	246.97400	142.9
[M]+	225.99878	138.6
[M]-	225.99988	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe