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

435
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

literature stripe

Patent stripe

patents stripe