CID 12017061

6-iodo-1,1,1,2,2-pentafluorohexane

Structural Information

Molecular Formula
C6H8F5I
SMILES
C(CCI)CC(C(F)(F)F)(F)F
InChI
InChI=1S/C6H8F5I/c7-5(8,6(9,10)11)3-1-2-4-12/h1-4H2
InChIKey
LGOVMEORCBKCPY-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

301.95908 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96636 143.6
[M+Na]+ 324.94830 144.8
[M-H]- 300.95180 131.4
[M+NH4]+ 319.99290 158.2
[M+K]+ 340.92224 148.7
[M+H-H2O]+ 284.95634 132.2
[M+HCOO]- 346.95728 154.2
[M+CH3COO]- 360.97293 192.8
[M+Na-2H]- 322.93375 136.6
[M]+ 301.95853 135.4
[M]- 301.95963 135.4
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