CID 221483

1,10-dibromodecane

Structural Information

Molecular Formula

C₁₀H₂₀Br₂

SMILES

C(CCCCCBr)CCCCBr

InChI

InChI=1S/C10H20Br2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2

InChIKey

GTQHJCOHNAFHRE-UHFFFAOYSA-N

Compound name

1,10-dibromodecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 3838
Patents: 297.9932 Da
Monoisotopic Mass: 5.8
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]+	299.000476	149.9
[M+Na]+	320.982418	159.0
[M-H]-	296.985924	153.3
[M+NH4]+	316.027023	169.2
[M+K]+	336.956358	142.7
[M+H-H2O]+	280.990460	157.5
[M+HCOO]-	342.991401	164.9
[M+CH3COO]-	357.007051	206.2
[M+Na-2H]-	318.967866	155.8
[M]+	297.99265142	185.5
[M]-	297.99374858	185.5

Literature stripe

literature stripe

Patent stripe

patents stripe