CID 89116158

{3,4,5-tris[1,1,2-trifluoro-2-(heptafluoropropoxy)ethoxy]phenyl}methanol

Structural Information

Molecular Formula
C22H8F30O7
SMILES
C1=C(C=C(C(=C1OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)OC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)CO
InChI
InChI=1S/C22H8F30O7/c23-8(57-20(47,48)14(32,33)17(38,39)40)11(26,27)54-5-1-4(3-53)2-6(55-12(28,29)9(24)58-21(49,50)15(34,35)18(41,42)43)7(5)56-13(30,31)10(25)59-22(51,52)16(36,37)19(44,45)46/h1-2,8-10,53H,3H2
InChIKey
QAIUGEQQBSAKLV-UHFFFAOYSA-N
Compound name
[3,4,5-tris[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

953.9791 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 954.98638 152.5
[M+Na]+ 976.96832 152.5
[M+NH4]+ 972.01292 152.5
[M+K]+ 992.94226 152.5
[M-H]- 952.97182 152.5
[M+Na-2H]- 974.95377 152.5
[M]+ 953.97855 152.5
[M]- 953.97965 152.5
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