CID 3696548

1-iodo-1h,1h-nonafluoropentane

Structural Information

Molecular Formula
C5H2F9I
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2
InChIKey
HFCSJMGXADMMTI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

359.90576 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.91304 147.8
[M+Na]+ 382.89498 150.5
[M-H]- 358.89848 132.0
[M+NH4]+ 377.93958 159.8
[M+K]+ 398.86892 153.8
[M+H-H2O]+ 342.90302 134.3
[M+HCOO]- 404.90396 151.8
[M+CH3COO]- 418.91961 202.4
[M+Na-2H]- 380.88043 141.2
[M]+ 359.90521 132.7
[M]- 359.90631 132.7
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