CID 124330

1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene

Structural Information

Molecular Formula
C14H2F26
SMILES
C(=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H2F26/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H
InChIKey
SFEKJPRYZMFTFH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluorotetradec-7-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

99
Patents

663.9741 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.98138 152.6
[M+Na]+ 686.96332 152.6
[M+NH4]+ 682.00792 152.6
[M+K]+ 702.93726 152.6
[M-H]- 662.96682 152.6
[M+Na-2H]- 684.94877 152.6
[M]+ 663.97355 152.6
[M]- 663.97465 152.6
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

patents stripe