CID 12289

Iodocyclohexane

Structural Information

Molecular Formula

C₆H₁₁I

SMILES

C1CCC(CC1)I

InChI

InChI=1S/C6H11I/c7-6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

FUCOMWZKWIEKRK-UHFFFAOYSA-N

Compound name

iodocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2339
Patents: 209.99055 Da
Monoisotopic Mass: 3.8
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]+	210.99783	126.4
[M+Na]+	232.97977	130.4
[M+NH4]+	228.02437	132.2
[M+K]+	248.95371	127.0
[M-H]-	208.98327	123.0
[M+Na-2H]-	230.96522	120.5
[M]+	209.99000	124.9
[M]-	209.99110	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe