CID 11007

1-iodohexadecane

Structural Information

Molecular Formula

C₁₆H₃₃I

SMILES

CCCCCCCCCCCCCCCCI

InChI

InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

KMWHQYDMBYABKL-UHFFFAOYSA-N

Compound name

1-iodohexadecane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1196
Patents: 352.1627 Da
Monoisotopic Mass: 9.6
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]+	353.16998	181.2
[M+Na]+	375.15192	177.2
[M-H]-	351.15542	172.8
[M+NH4]+	370.19652	194.0
[M+K]+	391.12586	179.8
[M+H-H2O]+	335.15996	171.2
[M+HCOO]-	397.16090	196.3
[M+CH3COO]-	411.17655	207.9
[M+Na-2H]-	373.13737	169.9
[M]+	352.16215	183.5
[M]-	352.16325	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe