CID 138396290

Dtxsid70895344

Structural Information

Molecular Formula
C19H24F15I
SMILES
CCCCCCCCCCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C19H24F15I/c1-2-3-4-5-6-7-8-9-10-12(35)11-13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h12H,2-11H2,1H3
InChIKey
MMTLEFYJOUMOHF-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

664.0683 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.07558 228.6
[M+Na]+ 687.05752 234.1
[M-H]- 663.06102 229.7
[M+NH4]+ 682.10212 236.4
[M+K]+ 703.03146 243.5
[M+H-H2O]+ 647.06556 218.8
[M+HCOO]- 709.06650 242.6
[M+CH3COO]- 723.08215 255.2
[M+Na-2H]- 685.04297 221.8
[M]+ 664.06775 224.8
[M]- 664.06885 224.8
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.