CID 2763959

1-bromo-4-(tert-butoxy)benzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

CC(C)(C)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3

InChIKey

QIWQHUCUWNGYDZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 200
Patents: 228.01498 Da
Monoisotopic Mass: 3.6
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]+	229.022256	143.3
[M+Na]+	251.004198	154.9
[M-H]-	227.007704	149.9
[M+NH4]+	246.048803	165.5
[M+K]+	266.978138	144.7
[M+H-H2O]+	211.012240	144.1
[M+HCOO]-	273.013181	163.7
[M+CH3COO]-	287.028831	187.5
[M+Na-2H]-	248.989646	151.7
[M]+	228.01443142	163.3
[M]-	228.01552858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe