CID 138396310

Dtxsid90895442

Structural Information

Molecular Formula
C26H36F17I
SMILES
CCCCCCCCCCCCCCCCC(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/C26H36F17I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(44)17-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h18H,2-17H2,1H3
InChIKey
RUVGQMKKVSGKLP-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodohexacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

798.15906 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 799.16634 253.5
[M+Na]+ 821.14828 257.4
[M-H]- 797.15178 254.4
[M+NH4]+ 816.19288 262.1
[M+K]+ 837.12222 270.5
[M+H-H2O]+ 781.15632 241.8
[M+HCOO]- 843.15726 265.3
[M+CH3COO]- 857.17291 274.9
[M+Na-2H]- 819.13373 244.6
[M]+ 798.15851 249.2
[M]- 798.15961 249.2
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.