CID 11230705

1-bromo-3-(3-bromopropoxy)propane

Structural Information

Molecular Formula

C₆H₁₂Br₂O

SMILES

C(COCCCBr)CBr

InChI

InChI=1S/C6H12Br2O/c7-3-1-5-9-6-2-4-8/h1-6H2

InChIKey

GOKUDEWVRNZXDZ-UHFFFAOYSA-N

Compound name

1-bromo-3-(3-bromopropoxy)propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1524
Patents: 257.92548 Da
Monoisotopic Mass: 2.3
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]+	258.93276	145.7
[M+Na]+	280.91470	139.9
[M+NH4]+	275.95930	147.6
[M+K]+	296.88864	145.7
[M-H]-	256.91820	145.2
[M+Na-2H]-	278.90015	145.8
[M]+	257.92493	143.5
[M]-	257.92603	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe