CID 78082

2-iodopropene

Structural Information

Molecular Formula

SMILES

CC(=C)I

InChI

InChI=1S/C3H5I/c1-3(2)4/h1H2,2H3

InChIKey

KWAHADSKPFGJQF-UHFFFAOYSA-N

Compound name

2-iodoprop-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 826
Patents: 167.9436 Da
Monoisotopic Mass: 2.3
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]+	168.950876	116.0
[M+Na]+	190.932818	117.3
[M-H]-	166.936324	110.3
[M+NH4]+	185.977423	135.8
[M+K]+	206.906758	123.3
[M+H-H2O]+	150.940860	109.0
[M+HCOO]-	212.941801	134.7
[M+CH3COO]-	226.957451	170.7
[M+Na-2H]-	188.918266	111.1
[M]+	167.94305142	112.6
[M]-	167.94414858	112.6

Literature stripe

literature stripe

Patent stripe

patents stripe