CID 12373

1,6-diiodohexane

Structural Information

Molecular Formula

C₆H₁₂I₂

SMILES

C(CCCI)CCI

InChI

InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2

InChIKey

QLIMAARBRDAYGQ-UHFFFAOYSA-N

Compound name

1,6-diiodohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1643
Patents: 337.90286 Da
Monoisotopic Mass: 4.6
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]+	338.910136	139.7
[M+Na]+	360.892078	132.2
[M-H]-	336.895584	128.7
[M+NH4]+	355.936683	150.7
[M+K]+	376.866018	142.9
[M+H-H2O]+	320.900120	129.3
[M+HCOO]-	382.901061	151.4
[M+CH3COO]-	396.916711	197.8
[M+Na-2H]-	358.877526	127.7
[M]+	337.90231142	136.4
[M]-	337.90340858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe