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]+ 424.88908 158.0
[M+Na]+ 446.87102 161.1
[M-H]- 422.87452 140.7
[M+NH4]+ 441.91562 167.4
[M+K]+ 462.84496 164.2
[M+H-H2O]+ 406.87906 143.5
[M+HCOO]- 468.88000 158.1
[M+CH3COO]- 482.89565 212.0
[M+Na-2H]- 444.85647 150.6
[M]+ 423.88125 140.0
[M]- 423.88235 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.