CID 102317

[bis(trifluoroacetoxy)iodo]benzene

Structural Information

Molecular Formula
C10H5F6IO4
SMILES
C1=CC=C(C=C1)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/C10H5F6IO4/c11-9(12,13)7(18)20-17(6-4-2-1-3-5-6)21-8(19)10(14,15)16/h1-5H
InChIKey
PEZNEXFPRSOYPL-UHFFFAOYSA-N
Compound name
[phenyl-(2,2,2-trifluoroacetyl)oxy-lambda3-iodanyl] 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11091
Patents

429.91367 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.920946 168.4
[M+Na]+ 452.902888 169.1
[M-H]- 428.906394 157.8
[M+NH4]+ 447.947493 177.3
[M+K]+ 468.876828 173.1
[M+H-H2O]+ 412.910930 154.3
[M+HCOO]- 474.911871 176.6
[M+CH3COO]- 488.927521 208.2
[M+Na-2H]- 450.888336 158.6
[M]+ 429.91312142 160.2
[M]- 429.91421858 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe