CID 138259

1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane

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
3
Annotation Hits

1
References

1121
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 142.8
[M+Na]+ 368.87932 146.1
[M-H]- 344.88282 127.2
[M+NH4]+ 363.92392 155.5
[M+K]+ 384.85326 149.6
[M+H-H2O]+ 328.88736 129.6
[M+HCOO]- 390.88830 147.2
[M+CH3COO]- 404.90395 198.4
[M+Na-2H]- 366.86477 136.8
[M]+ 345.88955 127.3
[M]- 345.89065 127.3
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