CID 75534875

25080-20-0

Structural Information

Molecular Formula
C7H4F11IO
SMILES
C(CI)C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F11IO/c8-3(9,1-2-19)7(17,18)20-4(10,5(11,12)13)6(14,15)16/h1-2H2
InChIKey
QEYKKUPIODYIBO-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.91312 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.92040 187.2
[M+Na]+ 462.90234 185.9
[M+NH4]+ 457.94694 185.5
[M+K]+ 478.87628 184.5
[M-H]- 438.90584 179.8
[M+Na-2H]- 460.88779 181.8
[M]+ 439.91257 184.5
[M]- 439.91367 184.5
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.