CID 79082

1,4-dibromopentane

Structural Information

Molecular Formula

C₅H₁₀Br₂

SMILES

CC(CCCBr)Br

InChI

InChI=1S/C5H10Br2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3

InChIKey

CNBFRBXEGGRSPL-UHFFFAOYSA-N

Compound name

1,4-dibromopentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 524
Patents: 227.91493 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]+	228.92221	130.9
[M+Na]+	250.90415	141.4
[M-H]-	226.90765	135.1
[M+NH4]+	245.94875	152.3
[M+K]+	266.87809	126.5
[M+H-H2O]+	210.91219	139.3
[M+HCOO]-	272.91313	146.4
[M+CH3COO]-	286.92878	195.4
[M+Na-2H]-	248.88960	138.1
[M]+	227.91438	164.6
[M]-	227.91548	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe