CID 14364457

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene

Structural Information

Molecular Formula
C18H23F13
SMILES
CCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H23F13/c1-2-3-4-5-6-7-8-9-10-11-12-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h11-12H,2-10H2,1H3/b12-11+
InChIKey
JJMVDGDNGYCDLM-VAWYXSNFSA-N
Compound name
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

486.1592 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.16648 183.6
[M+Na]+ 509.14842 190.0
[M-H]- 485.15192 182.5
[M+NH4]+ 504.19302 189.1
[M+K]+ 525.12236 196.6
[M+H-H2O]+ 469.15646 193.3
[M+HCOO]- 531.15740 202.4
[M+CH3COO]- 545.17305 239.3
[M+Na-2H]- 507.13387 178.9
[M]+ 486.15865 182.2
[M]- 486.15975 182.2
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.