CID 74886

2043-54-1

Structural Information

Molecular Formula
C12H4F21I
SMILES
C(CI)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
InChI
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
InChIKey
HVWXRMINOYZYCK-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-henicosafluoro-12-iodododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

186
Patents

673.9022 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.90948 161.6
[M+Na]+ 696.89142 161.7
[M+NH4]+ 691.93602 161.7
[M+K]+ 712.86536 162.2
[M-H]- 672.89492 161.4
[M+Na-2H]- 694.87687 162.1
[M]+ 673.90165 161.5
[M]- 673.90275 161.5
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