CID 71436514

1-(2-iodoethyl)perfluoroeicosane

Structural Information

Molecular Formula
C22H4F41I
SMILES
C(CI)C(C(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)(F)F)(F)F
InChI
InChI=1S/C22H4F41I/c23-3(24,1-2-64)4(25,26)5(27,28)6(29,30)7(31,32)8(33,34)9(35,36)10(37,38)11(39,40)12(41,42)13(43,44)14(45,46)15(47,48)16(49,50)17(51,52)18(53,54)19(55,56)20(57,58)21(59,60)22(61,62)63/h1-2H2
InChIKey
FZFGCTKHRTVJPG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20-hentetracontafluoro-22-iododocosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1173.8702 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1174.8775 272.6
[M+Na]+ 1196.8594 273.5
[M-H]- 1172.8629 283.8
[M+NH4]+ 1191.9040 282.3
[M+K]+ 1212.8334 287.4
[M+H-H2O]+ 1156.8675 262.0
[M+HCOO]- 1218.8684 282.9
[M+CH3COO]- 1232.8841 276.8
[M+Na-2H]- 1194.8449 275.1
[M]+ 1173.8697 265.4
[M]- 1173.8707 265.4
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.