CID 45379266

[3-(trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

Structural Information

Molecular Formula
C16H15F3I
SMILES
CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C16H15F3I/c1-10-7-11(2)15(12(3)8-10)20-14-6-4-5-13(9-14)16(17,18)19/h4-9H,1-3H3/q+1
InChIKey
KKHHCOHHOJTVPF-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

391.01706 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.02434 170.8
[M+Na]+ 414.00628 173.4
[M-H]- 390.00978 167.3
[M+NH4]+ 409.05088 182.3
[M+K]+ 429.98022 168.8
[M+H-H2O]+ 374.01432 160.5
[M+HCOO]- 436.01526 184.2
[M+CH3COO]- 450.03091 204.4
[M+Na-2H]- 411.99173 163.8
[M]+ 391.01651 164.6
[M]- 391.01761 164.6
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