CID 103200

Einecs 265-435-2

Structural Information

Molecular Formula
C20H4F37I
SMILES
C(CI)C(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H4F37I/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h1-2H2
InChIKey
ZVYZCXJEWPRVAQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18-heptatriacontafluoro-20-iodoicosane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1073.8767 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1074.8840 259.0
[M+Na]+ 1096.8659 260.3
[M-H]- 1072.8694 270.1
[M+NH4]+ 1091.9105 269.6
[M+K]+ 1112.8399 275.2
[M+H-H2O]+ 1056.8740 247.2
[M+HCOO]- 1118.8749 270.9
[M+CH3COO]- 1132.8906 276.8
[M+Na-2H]- 1094.8514 261.0
[M]+ 1073.8762 253.4
[M]- 1073.8772 253.4
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

No patent data available for this compound.