CID 52991971

62512-90-7

Structural Information

Molecular Formula
C36H12F39O3P
SMILES
C1=CC(=CC=C1C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)P(C2=CC=C(C=C2)C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)C3=CC=C(C=C3)C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
InChI
InChI=1S/C36H12F39O3P/c37-19(38,25(49,31(61,62)63)76-34(70,71)22(43,44)28(52,53)54)13-1-7-16(8-2-13)79(17-9-3-14(4-10-17)20(39,40)26(50,32(64,65)66)77-35(72,73)23(45,46)29(55,56)57)18-11-5-15(6-12-18)21(41,42)27(51,33(67,68)69)78-36(74,75)24(47,48)30(58,59)60/h1-12H
InChIKey
CRUUUYCRBZBYNA-UHFFFAOYSA-N
Compound name
tris[4-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]phenyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1263.9901 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1264.9974 152.5
[M+Na]+ 1286.9793 152.5
[M+NH4]+ 1282.0239 152.5
[M+K]+ 1302.9533 152.5
[M-H]- 1262.9828 152.5
[M+Na-2H]- 1284.9648 152.5
[M]+ 1263.9896 152.5
[M]- 1263.9906 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

No patent data available for this compound.