CID 285561

(5-bromopentyl)benzene

Structural Information

Molecular Formula

C₁₁H₁₅Br

SMILES

C1=CC=C(C=C1)CCCCCBr

InChI

InChI=1S/C11H15Br/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

InChIKey

QICUPOFVENZWSC-UHFFFAOYSA-N

Compound name

5-bromopentylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 226.0357 Da
Monoisotopic Mass: 4.2
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]+	227.04298	143.8
[M+Na]+	249.02492	147.9
[M+NH4]+	244.06952	149.8
[M+K]+	264.99886	145.6
[M-H]-	225.02842	145.5
[M+Na-2H]-	247.01037	148.6
[M]+	226.03515	143.8
[M]-	226.03625	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe