CID 138396323

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

Structural Information

Molecular Formula
C20H27F13
SMILES
CCCCCCCCCCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H27F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h13-14H,2-12H2,1H3
InChIKey
FIUWPWXECNIWRB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicos-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

514.1905 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.19778 191.1
[M+Na]+ 537.17972 197.2
[M-H]- 513.18322 189.3
[M+NH4]+ 532.22432 196.5
[M+K]+ 553.15366 204.5
[M+H-H2O]+ 497.18776 181.9
[M+HCOO]- 559.18870 209.1
[M+CH3COO]- 573.20435 244.6
[M+Na-2H]- 535.16517 185.4
[M]+ 514.18995 189.5
[M]- 514.19105 189.5
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.