CID 138396326

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

Structural Information

Molecular Formula
C22H31F13
SMILES
CCCCCCCCCCCCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H31F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h15-16H,2-14H2,1H3
InChIKey
QUYYHUUEEGLAJK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorodocos-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

542.2218 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.22908 198.5
[M+Na]+ 565.21102 204.2
[M-H]- 541.21452 196.0
[M+NH4]+ 560.25562 203.9
[M+K]+ 581.18496 212.3
[M+H-H2O]+ 525.21906 189.1
[M+HCOO]- 587.22000 215.8
[M+CH3COO]- 601.23565 249.9
[M+Na-2H]- 563.19647 191.9
[M]+ 542.22125 196.6
[M]- 542.22235 196.6
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.