CID 23442601

593270-22-5

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CCC1=CC=CC=C1C(=O)CBr

InChI

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

InChIKey

QAYCTBUGKWGQKZ-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-ethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 225.99933 Da
Monoisotopic Mass: 3.2
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	139.6
[M+Na]+	248.98855	143.4
[M+NH4]+	244.03315	144.9
[M+K]+	264.96249	142.8
[M-H]-	224.99205	140.5
[M+Na-2H]-	246.97400	143.7
[M]+	225.99878	139.2
[M]-	225.99988	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe