CID 2775165

2-iodononafluorobutane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

207
Patents

345.8901 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.89738 181.0
[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