CID 10653392

Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

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
3
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 234.1
[M+Na]+ 949.05447 240.6
[M-H]- 925.05797 243.1
[M+NH4]+ 944.09907 246.7
[M+K]+ 965.02841 250.6
[M+H-H2O]+ 909.06251 219.2
[M+HCOO]- 971.06345 256.8
[M+CH3COO]- 985.07910 288.2
[M+Na-2H]- 947.03992 231.4
[M]+ 926.06470 230.3
[M]- 926.06580 230.3
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