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]+ 520.87388 174.0
[M+Na]+ 542.85582 179.4
[M-H]- 518.85932 159.7
[M+NH4]+ 537.90042 180.5
[M+K]+ 558.82976 181.6
[M+H-H2O]+ 502.86386 157.3
[M+HCOO]- 564.86480 177.4
[M+CH3COO]- 578.88045 227.3
[M+Na-2H]- 540.84127 159.8
[M]+ 519.86605 161.4
[M]- 519.86715 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.