CID 78310

1,8-dibromooctane

Structural Information

Molecular Formula

C₈H₁₆Br₂

SMILES

C(CCCCBr)CCCBr

InChI

InChI=1S/C8H16Br2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

InChIKey

DKEGCUDAFWNSSO-UHFFFAOYSA-N

Compound name

1,8-dibromooctane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 45364
Patents: 269.96188 Da
Monoisotopic Mass: 4.3
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]+	270.96916	141.7
[M+Na]+	292.95110	151.5
[M-H]-	268.95460	145.5
[M+NH4]+	287.99570	161.9
[M+K]+	308.92504	135.6
[M+H-H2O]+	252.95914	149.7
[M+HCOO]-	314.96008	157.2
[M+CH3COO]-	328.97573	201.6
[M+Na-2H]-	290.93655	148.6
[M]+	269.96133	176.8
[M]-	269.96243	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe