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]+ 965.02108 246.7
[M+Na]+ 987.00302 249.4
[M-H]- 963.00652 260.0
[M+NH4]+ 982.04762 261.1
[M+K]+ 1002.9770 265.8
[M+H-H2O]+ 947.01106 235.6
[M+HCOO]- 1009.0120 255.3
[M+CH3COO]- 1023.0277 281.1
[M+Na-2H]- 984.98847 247.9
[M]+ 964.01325 241.1
[M]- 964.01435 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.