CID 71330102

93822-96-9

Structural Information

Molecular Formula
C6F11IO
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)I)(F)F
InChI
InChI=1S/C6F11IO/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18
InChIKey
AXAFCLDTLRJUCL-UHFFFAOYSA-N
Compound name
1,1,1,2,4,4,5,5-octafluoro-5-iodo-2-(trifluoromethyl)pentan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.8818 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.889076 158.0
[M+Na]+ 446.871018 161.1
[M-H]- 422.874524 140.7
[M+NH4]+ 441.915623 167.4
[M+K]+ 462.844958 164.2
[M+H-H2O]+ 406.879060 143.5
[M+HCOO]- 468.880001 158.1
[M+CH3COO]- 482.895651 212.0
[M+Na-2H]- 444.856466 150.6
[M]+ 423.88125142 140.0
[M]- 423.88234858 140.0
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.