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
2
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 164.0
[M+Na]+ 462.90234 165.9
[M-H]- 438.90584 146.0
[M+NH4]+ 457.94694 172.7
[M+K]+ 478.87628 169.2
[M+H-H2O]+ 422.91038 148.7
[M+HCOO]- 484.91132 164.1
[M+CH3COO]- 498.92697 215.7
[M+Na-2H]- 460.88779 153.7
[M]+ 439.91257 147.0
[M]- 439.91367 147.0
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.