CID 74888

2043-57-4

Structural Information

Molecular Formula
C8H4F13I
SMILES
C(CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2
InChIKey
NVVZEKTVIXIUKW-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

748
Patents

473.915 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.92228 179.8
[M+Na]+ 496.90422 179.0
[M+NH4]+ 491.94882 178.6
[M+K]+ 512.87816 178.1
[M-H]- 472.90772 174.9
[M+Na-2H]- 494.88967 176.6
[M]+ 473.91445 178.0
[M]- 473.91555 178.0
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