CID 10857167

79629-41-7

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

C=C(COCC1=CC=CC=C1)Br

InChI

InChI=1S/C10H11BrO/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,1,7-8H2

InChIKey

YPJSJNSGRGVCTJ-UHFFFAOYSA-N

Compound name

2-bromoprop-2-enoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 225.99933 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]+	227.00661	140.3
[M+Na]+	248.98855	143.8
[M+NH4]+	244.03315	145.6
[M+K]+	264.96249	143.0
[M-H]-	224.99205	141.1
[M+Na-2H]-	246.97400	144.6
[M]+	225.99878	139.9
[M]-	225.99988	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe