CID 14993424

Perfluorotridecyl iodide

Structural Information

Molecular Formula
C13F27I
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13F27I/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41
InChIKey
DSXBFFPIBZRADQ-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-heptacosafluoro-13-iodotridecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

795.8614 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.868676 222.4
[M+Na]+ 818.850618 225.8
[M-H]- 794.854124 232.2
[M+NH4]+ 813.895223 233.4
[M+K]+ 834.824558 239.4
[M+H-H2O]+ 778.858660 209.5
[M+HCOO]- 840.859601 238.8
[M+CH3COO]- 854.875251 263.3
[M+Na-2H]- 816.836066 222.8
[M]+ 795.86085142 219.1
[M]- 795.86194858 219.1
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

patents stripe