CID 2775883

678-74-0

Structural Information

Molecular Formula
C5H3F8I
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2
InChIKey
YMGYSVVJRMSEGU-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

341.91516 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.92244 144.2
[M+Na]+ 364.90438 146.2
[M-H]- 340.90788 129.1
[M+NH4]+ 359.94898 156.8
[M+K]+ 380.87832 149.9
[M+H-H2O]+ 324.91242 131.1
[M+HCOO]- 386.91336 149.8
[M+CH3COO]- 400.92901 200.3
[M+Na-2H]- 362.88983 136.2
[M]+ 341.91461 130.6
[M]- 341.91571 130.6
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