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
3
Annotation Hits

0
References

433
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 133.6
[M+Na]+ 296.91702 135.6
[M-H]- 272.92052 121.7
[M+NH4]+ 291.96162 149.3
[M+K]+ 312.89096 140.1
[M+H-H2O]+ 256.92506 122.7
[M+HCOO]- 318.92600 144.8
[M+CH3COO]- 332.94165 187.2
[M+Na-2H]- 294.90247 127.8
[M]+ 273.92725 124.7
[M]- 273.92835 124.7
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