CID 11483316

2,2-diiodopropane

Structural Information

Molecular Formula

C₃H₆I₂

SMILES

CC(C)(I)I

InChI

InChI=1S/C3H6I2/c1-3(2,4)5/h1-2H3

InChIKey

AZUCPFMKPGFGTB-UHFFFAOYSA-N

Compound name

2,2-diiodopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 694
Patents: 295.8559 Da
Monoisotopic Mass: 2.9
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]+	296.863176	125.8
[M+Na]+	318.845118	119.7
[M-H]-	294.848624	115.7
[M+NH4]+	313.889723	138.3
[M+K]+	334.819058	131.4
[M+H-H2O]+	278.853160	116.6
[M+HCOO]-	340.854101	137.3
[M+CH3COO]-	354.869751	190.9
[M+Na-2H]-	316.830566	115.9
[M]+	295.85535142	121.4
[M]-	295.85644858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe