CID 2760325

(heptadecafluorooctyl)phenyliodonium

Structural Information

Molecular Formula
C14H5F17I
SMILES
C1=CC=C(C=C1)[I+]C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F17I/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)32-6-4-2-1-3-5-6/h1-5H/q+1
InChIKey
PUNFPOQUHDQGLC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl(phenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

622.91644 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.92372 203.8
[M+Na]+ 645.90566 207.0
[M-H]- 621.90916 185.4
[M+NH4]+ 640.95026 218.1
[M+K]+ 661.87960 202.3
[M+H-H2O]+ 605.91370 186.8
[M+HCOO]- 667.91464 235.0
[M+CH3COO]- 681.93029 238.5
[M+Na-2H]- 643.89111 199.6
[M]+ 622.91589 176.3
[M]- 622.91699 176.3
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.