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]+ 1174.877476 272.6
[M+Na]+ 1196.859418 273.5
[M-H]- 1172.862924 283.8
[M+NH4]+ 1191.904023 282.3
[M+K]+ 1212.833358 287.4
[M+H-H2O]+ 1156.867460 262.0
[M+HCOO]- 1218.868401 282.9
[M+CH3COO]- 1232.884051 276.8
[M+Na-2H]- 1194.844866 275.1
[M]+ 1173.86965142 265.4
[M]- 1173.87074858 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.