CID 2760328

(heptafluoropropyl)phenyliodonium

Structural Information

Molecular Formula
C9H5F7I
SMILES
C1=CC=C(C=C1)[I+]C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F7I/c10-7(11,8(12,13)14)9(15,16)17-6-4-2-1-3-5-6/h1-5H/q+1
InChIKey
RKQPNRUABHNCIX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoropropyl(phenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

372.93243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.939706 155.4
[M+Na]+ 395.921648 157.4
[M-H]- 371.925154 144.2
[M+NH4]+ 390.966253 166.6
[M+K]+ 411.895588 154.3
[M+H-H2O]+ 355.929690 144.0
[M+HCOO]- 417.930631 162.8
[M+CH3COO]- 431.946281 196.6
[M+Na-2H]- 393.907096 151.8
[M]+ 372.93188142 141.9
[M]- 372.93297858 141.9
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