CID 18980480

1-bromo-3-(cyclopentyloxy)benzene

Structural Information

Molecular Formula

C₁₁H₁₃BrO

SMILES

C1CCC(C1)OC2=CC(=CC=C2)Br

InChI

InChI=1S/C11H13BrO/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6H2

InChIKey

SQWHABAKTKOIIR-UHFFFAOYSA-N

Compound name

1-bromo-3-cyclopentyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 240.01498 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]+	241.022256	149.3
[M+Na]+	263.004198	159.3
[M-H]-	239.007704	158.2
[M+NH4]+	258.048803	172.1
[M+K]+	278.978138	148.9
[M+H-H2O]+	223.012240	149.4
[M+HCOO]-	285.013181	170.4
[M+CH3COO]-	299.028831	187.1
[M+Na-2H]-	260.989646	154.5
[M]+	240.01443142	165.8
[M]-	240.01552858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe