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
2
Annotation Hits

0
References

1600
Patents

351.06097 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06825 170.6
[M+Na]+ 374.05019 170.0
[M-H]- 350.05369 169.7
[M+NH4]+ 369.09479 182.8
[M+K]+ 390.02413 166.4
[M+H-H2O]+ 334.05823 162.0
[M+HCOO]- 396.05917 187.0
[M+CH3COO]- 410.07482 198.5
[M+Na-2H]- 372.03564 163.7
[M]+ 351.06042 167.0
[M]- 351.06152 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe