CID 15072385

119027-36-0

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

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

InChI

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

InChIKey

SVSUUYAOGAZDBT-UHFFFAOYSA-N

Compound name

1-bromo-4-(2-methoxypropan-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 228.01498 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]+	229.02226	143.1
[M+Na]+	251.00420	154.7
[M-H]-	227.00770	149.7
[M+NH4]+	246.04880	165.3
[M+K]+	266.97814	144.4
[M+H-H2O]+	211.01224	143.9
[M+HCOO]-	273.01318	163.6
[M+CH3COO]-	287.02883	188.1
[M+Na-2H]-	248.98965	151.6
[M]+	228.01443	163.2
[M]-	228.01553	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe