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]+ 951.005376 243.9
[M+Na]+ 972.987318 246.7
[M-H]- 948.990824 257.3
[M+NH4]+ 968.031923 258.3
[M+K]+ 988.961258 262.9
[M+H-H2O]+ 932.995360 232.8
[M+HCOO]- 994.996301 252.7
[M+CH3COO]- 1009.011951 279.8
[M+Na-2H]- 970.972766 245.4
[M]+ 949.99755142 238.3
[M]- 949.99864858 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.