CID 86067416

863654-22-2

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

C1CC1OC2=CC=CC(=C2)C(=O)CBr

InChI

InChI=1S/C11H11BrO2/c12-7-11(13)8-2-1-3-10(6-8)14-9-4-5-9/h1-3,6,9H,4-5,7H2

InChIKey

HXUVHTKSOJKDHY-UHFFFAOYSA-N

Compound name

2-bromo-1-(3-cyclopropyloxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 253.99425 Da
Monoisotopic Mass: 2.9
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]+	255.001526	147.7
[M+Na]+	276.983468	160.1
[M-H]-	252.986974	157.6
[M+NH4]+	272.028073	163.9
[M+K]+	292.957408	149.1
[M+H-H2O]+	236.991510	146.9
[M+HCOO]-	298.992451	169.3
[M+CH3COO]-	313.008101	193.8
[M+Na-2H]-	274.968916	154.3
[M]+	253.99370142	168.9
[M]-	253.99479858	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe