CID 57354126

1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)butoxy]non-1-ene

Structural Information

Molecular Formula
C22H8F34O2
SMILES
C(CCOC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)COC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C22H8F34O2/c23-5(9(27,28)11(31,32)13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)53)7(25)57-3-1-2-4-58-8(26)6(24)10(29,30)12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(54,55)56/h1-4H2
InChIKey
FALKUJHRPGKTOM-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)butoxy]non-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

949.9981 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 951.00538 243.9
[M+Na]+ 972.98732 246.7
[M-H]- 948.99082 257.3
[M+NH4]+ 968.03192 258.3
[M+K]+ 988.96126 262.9
[M+H-H2O]+ 932.99536 232.8
[M+HCOO]- 994.99630 252.7
[M+CH3COO]- 1009.0120 279.8
[M+Na-2H]- 970.97277 245.4
[M]+ 949.99755 238.3
[M]- 949.99865 238.3
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.