CID 53446563

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

Structural Information

Molecular Formula
C23H10F34O2
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)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/C23H10F34O2/c24-6(10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)20(48,49)22(52,53)54)8(26)58-4-2-1-3-5-59-9(27)7(25)11(30,31)13(34,35)15(38,39)17(42,43)19(46,47)21(50,51)23(55,56)57/h1-5H2
InChIKey
KEUDAXBHLYWSJP-UHFFFAOYSA-N
Compound name
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-[5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)pentoxy]non-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

964.0138 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 965.021076 246.7
[M+Na]+ 987.003018 249.4
[M-H]- 963.006524 260.0
[M+NH4]+ 982.047623 261.1
[M+K]+ 1002.976958 265.8
[M+H-H2O]+ 947.011060 235.6
[M+HCOO]- 1009.012001 255.3
[M+CH3COO]- 1023.027651 281.1
[M+Na-2H]- 984.988466 247.9
[M]+ 964.01325142 241.1
[M]- 964.01434858 241.1
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.