CID 57354128

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

Structural Information

Molecular Formula
C24H12F34O2
SMILES
C(CCCOC(=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)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
InChI
InChI=1S/C24H12F34O2/c25-7(11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)9(27)59-5-3-1-2-4-6-60-10(28)8(26)12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-6H2
InChIKey
QHHPKLZCVQPGLS-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[6-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)hexoxy]non-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

978.0294 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 979.036676 249.5
[M+Na]+ 1001.018618 252.2
[M-H]- 977.022124 262.6
[M+NH4]+ 996.063223 263.9
[M+K]+ 1016.992558 268.7
[M+H-H2O]+ 961.026660 238.3
[M+HCOO]- 1023.027601 257.8
[M+CH3COO]- 1037.043251 282.4
[M+Na-2H]- 999.004066 250.4
[M]+ 978.02885142 243.9
[M]- 978.02994858 243.9
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.