CID 6332315

139139-80-3

Structural Information

Molecular Formula
C18H22I
SMILES
CC1=CC(=C(C(=C1)C)[I+]C2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C18H22I/c1-11-7-13(3)17(14(4)8-11)19-18-15(5)9-12(2)10-16(18)6/h7-10H,1-6H3/q+1
InChIKey
FGLZFXDJHLJUIA-UHFFFAOYSA-N
Compound name
bis(2,4,6-trimethylphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

365.07663 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.083906 169.9
[M+Na]+ 388.065848 172.7
[M-H]- 364.069354 170.4
[M+NH4]+ 383.110453 183.0
[M+K]+ 404.039788 168.8
[M+H-H2O]+ 348.073890 162.0
[M+HCOO]- 410.074831 187.1
[M+CH3COO]- 424.090481 204.9
[M+Na-2H]- 386.051296 161.5
[M]+ 365.07608142 168.8
[M]- 365.07717858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe