CID 115044039

1-bromo-3-(1-methoxycyclobutyl)benzene

Structural Information

Molecular Formula

C₁₁H₁₃BrO

SMILES

COC1(CCC1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C11H13BrO/c1-13-11(6-3-7-11)9-4-2-5-10(12)8-9/h2,4-5,8H,3,6-7H2,1H3

InChIKey

HOJVUOBYINTZGI-UHFFFAOYSA-N

Compound name

1-bromo-3-(1-methoxycyclobutyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.01498 Da
Monoisotopic Mass: 3.0
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]+	241.02226	142.2
[M+Na]+	263.00420	142.6
[M+NH4]+	258.04880	146.1
[M+K]+	278.97814	141.8
[M-H]-	239.00770	142.4
[M+Na-2H]-	260.98965	146.6
[M]+	240.01443	140.5
[M]-	240.01553	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe