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

5
Patents

795.8614 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.86868 222.4
[M+Na]+ 818.85062 225.8
[M-H]- 794.85412 232.2
[M+NH4]+ 813.89522 233.4
[M+K]+ 834.82456 239.4
[M+H-H2O]+ 778.85866 209.5
[M+HCOO]- 840.85960 238.8
[M+CH3COO]- 854.87525 263.3
[M+Na-2H]- 816.83607 222.8
[M]+ 795.86085 219.1
[M]- 795.86195 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