CID 235995

1-bromo-4-[(2-methylprop-2-en-1-yl)oxy]benzene

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

CC(=C)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H11BrO/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-6H,1,7H2,2H3

InChIKey

KHQSRDPRMBZDDT-UHFFFAOYSA-N

Compound name

1-bromo-4-(2-methylprop-2-enoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 225.99933 Da
Monoisotopic Mass: 3.9
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]+	227.00661	141.2
[M+Na]+	248.98855	152.3
[M-H]-	224.99205	147.5
[M+NH4]+	244.03315	163.1
[M+K]+	264.96249	141.5
[M+H-H2O]+	208.99659	141.6
[M+HCOO]-	270.99753	162.4
[M+CH3COO]-	285.01318	187.7
[M+Na-2H]-	246.97400	148.0
[M]+	225.99878	160.5
[M]-	225.99988	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe