CID 141538

1,2-dibromocyclooctane

Structural Information

Molecular Formula

C₈H₁₄Br₂

SMILES

C1CCCC(C(CC1)Br)Br

InChI

InChI=1S/C8H14Br2/c9-7-5-3-1-2-4-6-8(7)10/h7-8H,1-6H2

InChIKey

BOESCCYXMLOHNO-UHFFFAOYSA-N

Compound name

1,2-dibromocyclooctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 267.94623 Da
Monoisotopic Mass: 4.2
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]+	268.95351	142.3
[M+Na]+	290.93545	147.6
[M-H]-	266.93895	145.3
[M+NH4]+	285.98005	151.4
[M+K]+	306.90939	142.0
[M+H-H2O]+	250.94349	145.3
[M+HCOO]-	312.94443	148.4
[M+CH3COO]-	326.96008	229.5
[M+Na-2H]-	288.92090	143.6
[M]+	267.94568	155.0
[M]-	267.94678	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.