CID 10653392

322647-83-6

Structural Information

Molecular Formula
C32H17F26P
SMILES
C1=CC=C(C=C1)P(C2=CC=C(C=C2)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2
InChIKey
JKFFEJFWOMHYDX-UHFFFAOYSA-N
Compound name
bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

926.06525 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 927.07253 166.9
[M+Na]+ 949.05447 166.9
[M+NH4]+ 944.09907 166.9
[M+K]+ 965.02841 167.1
[M-H]- 925.05797 166.9
[M+Na-2H]- 947.03992 167.1
[M]+ 926.06470 166.9
[M]- 926.06580 166.9
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