CID 22725

4,4'-dimethyldiphenyliodonium

Structural Information

Molecular Formula
C14H14I
SMILES
CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14I/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3/q+1
InChIKey
HKWWDSQUZURFQR-UHFFFAOYSA-N
Compound name
bis(4-methylphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3934
Patents

309.014 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.02128 156.1
[M+Na]+ 332.00322 157.0
[M-H]- 308.00672 155.7
[M+NH4]+ 327.04782 170.1
[M+K]+ 347.97716 153.7
[M+H-H2O]+ 292.01126 148.1
[M+HCOO]- 354.01220 174.5
[M+CH3COO]- 368.02785 189.4
[M+Na-2H]- 329.98867 152.0
[M]+ 309.01345 152.2
[M]- 309.01455 152.2
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