CID 14742524

152074-07-2

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

CCOC1=CC=CC=C1C(=O)CBr

InChI

InChI=1S/C10H11BrO2/c1-2-13-10-6-4-3-5-8(10)9(12)7-11/h3-6H,2,7H2,1H3

InChIKey

APYWRCOHDUNRLS-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-ethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 241.99425 Da
Monoisotopic Mass: 2.7
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]+	243.00153	144.1
[M+Na]+	264.98347	155.1
[M-H]-	240.98697	150.4
[M+NH4]+	260.02807	165.3
[M+K]+	280.95741	144.8
[M+H-H2O]+	224.99151	144.1
[M+HCOO]-	286.99245	165.4
[M+CH3COO]-	301.00810	189.5
[M+Na-2H]-	262.96892	150.8
[M]+	241.99370	164.7
[M]-	241.99480	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe