CID 18362418

344562-80-7

Structural Information

Molecular Formula

C₁₇H₂₀I

SMILES

CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C17H20I/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16/h4-11,13H,12H2,1-3H3/q+1

InChIKey

CIZFAASMIWNDTR-UHFFFAOYSA-N

Compound name

(4-methylphenyl)-[4-(2-methylpropyl)phenyl]iodanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1484
Patents: 351.06097 Da
Monoisotopic Mass: 6.3
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]+	352.068246	170.6
[M+Na]+	374.050188	170.0
[M-H]-	350.053694	169.7
[M+NH4]+	369.094793	182.8
[M+K]+	390.024128	166.4
[M+H-H2O]+	334.058230	162.0
[M+HCOO]-	396.059171	187.0
[M+CH3COO]-	410.074821	198.5
[M+Na-2H]-	372.035636	163.7
[M]+	351.06042142	167.0
[M]-	351.06151858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe