CID 95366

2,3-dibromopentane

Structural Information

Molecular Formula

C₅H₁₀Br₂

SMILES

CCC(C(C)Br)Br

InChI

InChI=1S/C5H10Br2/c1-3-5(7)4(2)6/h4-5H,3H2,1-2H3

InChIKey

LWBRXRHBXMVUEX-UHFFFAOYSA-N

Compound name

2,3-dibromopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 227.91493 Da
Monoisotopic Mass: 3.1
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	136.1
[M+Na]+	250.90415	130.3
[M+NH4]+	245.94875	138.4
[M+K]+	266.87809	137.3
[M-H]-	226.90765	135.8
[M+Na-2H]-	248.88960	136.7
[M]+	227.91438	134.0
[M]-	227.91548	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe