CID 45075726

Perfluoro(1,4-diphenoxybenzene)

Structural Information

Molecular Formula
C18F14O2
SMILES
C1(=C(C(=C(C(=C1F)F)OC2=C(C(=C(C(=C2F)F)F)F)F)F)F)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C18F14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28
InChIKey
QUYRBEDFNGXEQH-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenoxy)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

513.96747 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.97475 207.8
[M+Na]+ 536.95669 227.1
[M-H]- 512.96019 203.8
[M+NH4]+ 532.00129 215.7
[M+K]+ 552.93063 217.4
[M+H-H2O]+ 496.96473 188.1
[M+HCOO]- 558.96567 216.0
[M+CH3COO]- 572.98132 249.5
[M+Na-2H]- 534.94214 196.3
[M]+ 513.96692 197.5
[M]- 513.96802 197.5
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

patents stripe