CID 121613

30046-31-2

Structural Information

Molecular Formula
C14H4F25I
SMILES
C(CI)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2
InChIKey
DBXLDZXWSFMBRB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-iodotetradecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

773.8959 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.90318 152.6
[M+Na]+ 796.88512 152.6
[M+NH4]+ 791.92972 152.6
[M+K]+ 812.85906 152.6
[M-H]- 772.88862 152.6
[M+Na-2H]- 794.87057 152.6
[M]+ 773.89535 152.6
[M]- 773.89645 152.6
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