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

2
Annotation Hits: 1
References: 1691
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]+	338.91014	134.5
[M+Na]+	360.89208	130.0
[M+NH4]+	355.93668	134.3
[M+K]+	376.86602	131.2
[M-H]-	336.89558	123.5
[M+Na-2H]-	358.87753	118.9
[M]+	337.90231	128.8
[M]-	337.90341	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe