CID 12820302

Dtxsid30896675

Structural Information

Molecular Formula
C16H15F17
SMILES
CCCCCC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H15F17/c1-2-3-4-5-6-7-8-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,2-6H2,1H3/b8-7+
InChIKey
UNXXMDJDQMKIJO-BQYQJAHWSA-N
Compound name
(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

530.0902 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.09748 181.7
[M+Na]+ 553.07942 187.5
[M-H]- 529.08292 185.3
[M+NH4]+ 548.12402 189.8
[M+K]+ 569.05336 196.8
[M+H-H2O]+ 513.08746 170.8
[M+HCOO]- 575.08840 201.2
[M+CH3COO]- 589.10405 244.7
[M+Na-2H]- 551.06487 179.3
[M]+ 530.08965 180.3
[M]- 530.09075 180.3
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