CID 45933687

1,1,2,2,4,4,4-heptafluoro-3-(iodomethyl)-1-(1,2,2,2-tetrafluoroethoxy)butane

Structural Information

Molecular Formula
C7H4F11IO
SMILES
C(C(C(C(OC(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F)I
InChI
InChI=1S/C7H4F11IO/c8-3(6(14,15)16)20-7(17,18)4(9,10)2(1-19)5(11,12)13/h2-3H,1H2
InChIKey
GXDRJQCAQULYJE-UHFFFAOYSA-N
Compound name
1,1,2,2,4,4,4-heptafluoro-3-(iodomethyl)-1-(1,2,2,2-tetrafluoroethoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.91312 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.92040 185.9
[M+Na]+ 462.90234 184.5
[M+NH4]+ 457.94694 184.2
[M+K]+ 478.87628 183.3
[M-H]- 438.90584 178.5
[M+Na-2H]- 460.88779 180.5
[M]+ 439.91257 183.1
[M]- 439.91367 183.1
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.