CID 11118103

Trans-1-iodo-1-octene

Structural Information

Molecular Formula

C₈H₁₅I

SMILES

CCCCCC/C=C/I

InChI

InChI=1S/C8H15I/c1-2-3-4-5-6-7-8-9/h7-8H,2-6H2,1H3/b8-7+

InChIKey

SJZDDNSUIVLYIN-BQYQJAHWSA-N

Compound name

(E)-1-iodooct-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 238.02185 Da
Monoisotopic Mass: 5.1
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]+	239.02913	140.8
[M+Na]+	261.01107	140.4
[M-H]-	237.01457	134.0
[M+NH4]+	256.05567	158.0
[M+K]+	276.98501	144.6
[M+H-H2O]+	221.01911	132.6
[M+HCOO]-	283.02005	158.8
[M+CH3COO]-	297.03570	183.7
[M+Na-2H]-	258.99652	134.1
[M]+	238.02130	139.6
[M]-	238.02240	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe