CID 67546

Perfluorododecyl iodide

Structural Information

Molecular Formula
C12F25I
SMILES
C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
InChIKey
WBYCUETVRCXUPE-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-12-iodododecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

205
Patents

745.86456 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.87184 216.1
[M+Na]+ 768.85378 220.1
[M-H]- 744.85728 225.3
[M+NH4]+ 763.89838 226.8
[M+K]+ 784.82772 232.8
[M+H-H2O]+ 728.86182 203.5
[M+HCOO]- 790.86276 233.3
[M+CH3COO]- 804.87841 258.8
[M+Na-2H]- 766.83923 216.0
[M]+ 745.86401 213.1
[M]- 745.86511 213.1
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