CID 125448965

(1,3-dibromopropan-2-yl)cyclopropane

Structural Information

Molecular Formula

C₆H₁₀Br₂

SMILES

C1CC1C(CBr)CBr

InChI

InChI=1S/C6H10Br2/c7-3-6(4-8)5-1-2-5/h5-6H,1-4H2

InChIKey

SVLFWQMFMKSSGH-UHFFFAOYSA-N

Compound name

1,3-dibromopropan-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.91493 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]+	240.92221	137.6
[M+Na]+	262.90415	149.5
[M-H]-	238.90765	145.1
[M+NH4]+	257.94875	154.9
[M+K]+	278.87809	134.2
[M+H-H2O]+	222.91219	144.8
[M+HCOO]-	284.91313	153.4
[M+CH3COO]-	298.92878	199.0
[M+Na-2H]-	260.88960	144.5
[M]+	239.91438	171.1
[M]-	239.91548	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.