CID 70704

5-bromo-1-pentene

Structural Information

Molecular Formula

SMILES

C=CCCCBr

InChI

InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2

InChIKey

LPNANKDXVBMDKE-UHFFFAOYSA-N

Compound name

5-bromopent-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 4245
Patents: 147.98875 Da
Monoisotopic Mass: 2.4
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]+	148.996026	123.2
[M+Na]+	170.977968	134.7
[M-H]-	146.981474	126.5
[M+NH4]+	166.022573	148.2
[M+K]+	186.951908	124.6
[M+H-H2O]+	130.986010	124.7
[M+HCOO]-	192.986951	145.0
[M+CH3COO]-	207.002601	174.7
[M+Na-2H]-	168.963416	132.1
[M]+	147.98820142	141.8
[M]-	147.98929858	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe