CID 110092

1,1,1,2,2-pentafluoro-4-iodobutane

Structural Information

Molecular Formula
C4H4F5I
SMILES
C(CI)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H4F5I/c5-3(6,1-2-10)4(7,8)9/h1-2H2
InChIKey
PPXVPFPTMXFUDE-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

402
Patents

273.9278 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.93508 153.4
[M+Na]+ 296.91702 153.3
[M+NH4]+ 291.96162 153.9
[M+K]+ 312.89096 151.6
[M-H]- 272.92052 142.1
[M+Na-2H]- 294.90247 144.7
[M]+ 273.92725 149.1
[M]- 273.92835 149.1
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

patents stripe