CID 90525

Pentafluoro(1,2,2-trifluoro-2-((trifluorovinyl)oxy)-1-(trifluoromethyl)ethoxy)benzene

Structural Information

Molecular Formula
C11F14O2
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11F14O2/c12-1-2(13)4(15)6(5(16)3(1)14)26-9(20,10(21,22)23)11(24,25)27-8(19)7(17)18
InChIKey
QYMQYPBAGDZNMY-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

329
Patents

429.96747 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.97475 178.6
[M+Na]+ 452.95669 191.2
[M-H]- 428.96019 167.0
[M+NH4]+ 448.00129 188.3
[M+K]+ 468.93063 186.0
[M+H-H2O]+ 412.96473 162.7
[M+HCOO]- 474.96567 181.3
[M+CH3COO]- 488.98132 227.7
[M+Na-2H]- 450.94214 174.2
[M]+ 429.96692 161.4
[M]- 429.96802 161.4
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