CID 121670

30320-26-4

Structural Information

Molecular Formula
C9F18
SMILES
C(=C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9F18/c10-3(7(19,20)21,8(22,23)24)1(4(11,12)9(25,26)27)2(5(13,14)15)6(16,17)18
InChIKey
KJIGYKCIAQBHEL-UHFFFAOYSA-N
Compound name
1,1,1,4,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(trifluoromethyl)pent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

449.97125 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.97853 159.8
[M+Na]+ 472.96047 159.9
[M+NH4]+ 468.00507 159.7
[M+K]+ 488.93441 160.4
[M-H]- 448.96397 158.8
[M+Na-2H]- 470.94592 160.3
[M]+ 449.97070 159.5
[M]- 449.97180 159.5
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