CID 6450040

113999-61-4

Structural Information

Molecular Formula
C18H19F17
SMILES
CCCCCCCC/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/C18H19F17/c1-2-3-4-5-6-7-8-9-10-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h9-10H,2-8H2,1H3/b10-9+
InChIKey
YDKKPMDGMXMFMV-MDZDMXLPSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadec-9-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

558.1215 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.12878 189.0
[M+Na]+ 581.11072 194.4
[M-H]- 557.11422 192.0
[M+NH4]+ 576.15532 197.0
[M+K]+ 597.08466 204.4
[M+H-H2O]+ 541.11876 177.8
[M+HCOO]- 603.11970 207.8
[M+CH3COO]- 617.13535 249.6
[M+Na-2H]- 579.09617 185.7
[M]+ 558.12095 187.3
[M]- 558.12205 187.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.