CID 132274945

4-biphenylyl(2,4,6-trimethoxyphenyl)iodonium trifluoromethanesulfonate

Structural Information

Molecular Formula
C21H20IO3
SMILES
COC1=CC(=C(C(=C1)OC)[I+]C2=CC=C(C=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H20IO3/c1-23-18-13-19(24-2)21(20(14-18)25-3)22-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14H,1-3H3/q+1
InChIKey
MFKRCEFIAPLZCY-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)-(2,4,6-trimethoxyphenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

447.04572 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.05300 198.5
[M+Na]+ 470.03494 198.6
[M-H]- 446.03844 200.5
[M+NH4]+ 465.07954 206.5
[M+K]+ 486.00888 194.9
[M+H-H2O]+ 430.04298 187.2
[M+HCOO]- 492.04392 215.8
[M+CH3COO]- 506.05957 212.8
[M+Na-2H]- 468.02039 191.2
[M]+ 447.04517 198.4
[M]- 447.04627 198.4
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