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

3
Annotation Hits: 3
References: 2851
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]+	210.997826	127.3
[M+Na]+	232.979768	125.6
[M-H]-	208.983274	123.2
[M+NH4]+	228.024373	145.0
[M+K]+	248.953708	130.8
[M+H-H2O]+	192.987810	118.7
[M+HCOO]-	254.988751	143.3
[M+CH3COO]-	269.004401	175.8
[M+Na-2H]-	230.965216	121.7
[M]+	209.99000142	119.7
[M]-	209.99109858	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe