CID 57593946

4-bromo-1-isopropyl-2-methoxybenzene

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

CC(C)C1=C(C=C(C=C1)Br)OC

InChI

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

InChIKey

LKCIPBSEEFZRGN-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxy-1-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 228.01498 Da
Monoisotopic Mass: 3.7
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]+	229.02226	140.1
[M+Na]+	251.00420	144.2
[M+NH4]+	246.04880	145.6
[M+K]+	266.97814	143.8
[M-H]-	227.00770	141.2
[M+Na-2H]-	248.98965	144.1
[M]+	228.01443	139.9
[M]-	228.01553	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe