CID 2760881

1,1,1-tris(4-trifluorovinyloxyphenyl)ethane

Structural Information

Molecular Formula
C26H15F9O3
SMILES
CC(C1=CC=C(C=C1)OC(=C(F)F)F)(C2=CC=C(C=C2)OC(=C(F)F)F)C3=CC=C(C=C3)OC(=C(F)F)F
InChI
InChI=1S/C26H15F9O3/c1-26(14-2-8-17(9-3-14)36-23(33)20(27)28,15-4-10-18(11-5-15)37-24(34)21(29)30)16-6-12-19(13-7-16)38-25(35)22(31)32/h2-13H,1H3
InChIKey
XAUHHCMRFFGRMF-UHFFFAOYSA-N
Compound name
1-[1,1-bis[4-(1,2,2-trifluoroethenoxy)phenyl]ethyl]-4-(1,2,2-trifluoroethenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

546.08777 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.09505 221.0
[M+Na]+ 569.07699 226.4
[M-H]- 545.08049 218.1
[M+NH4]+ 564.12159 224.3
[M+K]+ 585.05093 219.2
[M+H-H2O]+ 529.08503 203.6
[M+HCOO]- 591.08597 226.2
[M+CH3COO]- 605.10162 247.6
[M+Na-2H]- 567.06244 211.5
[M]+ 546.08722 210.2
[M]- 546.08832 210.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe