CID 4622709

3,3'-(1,4-phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]

Structural Information

Molecular Formula
C22H4F26N4O2
SMILES
C1=CC(=CC=C1C2=NOC(=N2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=NOC(=N3)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C22H4F26N4O2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-49-7(51-53-9)5-1-2-6(4-3-5)8-50-10(54-52-8)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-4H
InChIKey
ZTSUPFXJRAWYNA-UHFFFAOYSA-N
Compound name
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-3-[4-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

849.9919 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 850.99918 264.1
[M+Na]+ 872.98112 274.3
[M-H]- 848.98462 252.9
[M+NH4]+ 868.02572 217.5
[M+K]+ 888.95506 270.3
[M+H-H2O]+ 832.98916 244.9
[M+HCOO]- 894.99010 231.4
[M+CH3COO]- 909.00575 276.4
[M+Na-2H]- 870.96657 266.5
[M]+ 849.99135 234.6
[M]- 849.99245 234.6
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.