CID 626316

[bis(trifluoroacetoxy)iodo]pentafluorobenzene

Structural Information

Molecular Formula
C10F11IO4
SMILES
C1(=C(C(=C(C(=C1F)F)I(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)F)F)F
InChI
InChI=1S/C10F11IO4/c11-1-2(12)4(14)6(5(15)3(1)13)22(25-7(23)9(16,17)18)26-8(24)10(19,20)21
InChIKey
OQWAXRPJEPTTSZ-UHFFFAOYSA-N
Compound name
[(2,3,4,5,6-pentafluorophenyl)-(2,2,2-trifluoroacetyl)oxy-lambda3-iodanyl] 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

519.8666 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.873876 174.0
[M+Na]+ 542.855818 179.4
[M-H]- 518.859324 159.7
[M+NH4]+ 537.900423 180.5
[M+K]+ 558.829758 181.6
[M+H-H2O]+ 502.863860 157.3
[M+HCOO]- 564.864801 177.4
[M+CH3COO]- 578.880451 227.3
[M+Na-2H]- 540.841266 159.8
[M]+ 519.86605142 161.4
[M]- 519.86714858 161.4
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