CID 12521024

Phenyl(tridecafluorohexyl)iodanium

Structural Information

Molecular Formula
C12H5F13I
SMILES
C1=CC=C(C=C1)[I+]C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H5F13I/c13-7(14,9(17,18)11(21,22)23)8(15,16)10(19,20)12(24,25)26-6-4-2-1-3-5-6/h1-5H/q+1
InChIKey
MMWPBYJGIINSSX-UHFFFAOYSA-N
Compound name
phenyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)iodanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

522.92285 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.93013 183.7
[M+Na]+ 545.91207 186.5
[M-H]- 521.91557 167.3
[M+NH4]+ 540.95667 189.0
[M+K]+ 561.88601 182.1
[M+H-H2O]+ 505.92011 168.5
[M+HCOO]- 567.92105 180.4
[M+CH3COO]- 581.93670 222.8
[M+Na-2H]- 543.89752 179.5
[M]+ 522.92230 161.7
[M]- 522.92340 161.7
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

No patent data available for this compound.