CID 78411284

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane

Structural Information

Molecular Formula
C22H8F34O3
SMILES
C(=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)OC=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/C22H8F34O3/c23-5(9(29,30)15(41,42)19(49,50)21(53,54)17(45,46)11(33,34)7(25)26)13(37,38)58-3-1-57-2-4-59-14(39,40)6(24)10(31,32)16(43,44)20(51,52)22(55,56)18(47,48)12(35,36)8(27)28/h1-8H
InChIKey
OAHLZPDNOHHVES-UHFFFAOYSA-N
Compound name
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

965.99304 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 967.00032 244.7
[M+Na]+ 988.98226 247.2
[M-H]- 964.98576 258.3
[M+NH4]+ 984.02686 259.5
[M+K]+ 1004.9562 263.5
[M+H-H2O]+ 948.99030 233.7
[M+HCOO]- 1010.9912 253.2
[M+CH3COO]- 1025.0069 281.2
[M+Na-2H]- 986.96771 246.0
[M]+ 965.99249 239.5
[M]- 965.99359 239.5
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.