CID 138259

Iodononafluoro-t-butane

Structural Information

Molecular Formula
C4F9I
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)I
InChI
InChI=1S/C4F9I/c5-2(6,7)1(14,3(8,9)10)4(11,12)13
InChIKey
WIKBZUXHNPONPP-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1095
Patents

345.8901 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.89738 180.9
[M+Na]+ 368.87932 179.7
[M+NH4]+ 363.92392 179.5
[M+K]+ 384.85326 178.1
[M-H]- 344.88282 171.3
[M+Na-2H]- 366.86477 174.0
[M]+ 345.88955 177.4
[M]- 345.89065 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe