CID 11288719

53704-75-9

Structural Information

Molecular Formula

C₁₂H₁₅BrO₂

SMILES

CCCCOC1=CC=C(C=C1)C(=O)CBr

InChI

InChI=1S/C12H15BrO2/c1-2-3-8-15-11-6-4-10(5-7-11)12(14)9-13/h4-7H,2-3,8-9H2,1H3

InChIKey

MIODISVXSASJOK-UHFFFAOYSA-N

Compound name

2-bromo-1-(4-butoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 270.02554 Da
Monoisotopic Mass: 3.7
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]+	271.03282	152.0
[M+Na]+	293.01476	155.0
[M+NH4]+	288.05936	156.4
[M+K]+	308.98870	154.3
[M-H]-	269.01826	152.3
[M+Na-2H]-	291.00021	155.1
[M]+	270.02499	151.3
[M]-	270.02609	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe