CID 138396297

Dtxsid70895400

Structural Information

Molecular Formula
C20H24F17I
SMILES
CCCCCCCCCCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C20H24F17I/c1-2-3-4-5-6-7-8-9-10-12(38)11-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h12H,2-11H2,1H3
InChIKey
KDNAFMKMUXWOIX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

714.0651 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.07238 234.0
[M+Na]+ 737.05432 238.9
[M-H]- 713.05782 236.7
[M+NH4]+ 732.09892 242.8
[M+K]+ 753.02826 250.0
[M+H-H2O]+ 697.06236 223.1
[M+HCOO]- 759.06330 247.8
[M+CH3COO]- 773.07895 261.7
[M+Na-2H]- 735.03977 227.6
[M]+ 714.06455 230.1
[M]- 714.06565 230.1
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

No patent data available for this compound.