CID 15725275

136382-01-9

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

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

InChI

InChI=1S/C11H13BrO2/c1-7-4-8(2)11(9(13)6-12)10(5-7)14-3/h4-5H,6H2,1-3H3

InChIKey

CBXARLPEXZEGOM-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-methoxy-4,6-dimethylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 256.0099 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]+	257.01718	146.2
[M+Na]+	278.99912	150.1
[M+NH4]+	274.04372	150.9
[M+K]+	294.97306	150.0
[M-H]-	255.00262	146.7
[M+Na-2H]-	276.98457	149.3
[M]+	256.00935	145.8
[M]-	256.01045	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe