CID 3083562

Schembl21906332

Structural Information

Molecular Formula
C15H9F24P
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)P(CC(C(C(C(F)F)(F)F)(F)F)(F)F)CC(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H9F24P/c16-4(17)10(28,29)13(34,35)7(22,23)1-40(2-8(24,25)14(36,37)11(30,31)5(18)19)3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2
InChIKey
DISHTLVXZWCKIV-UHFFFAOYSA-N
Compound name
tris(2,2,3,3,4,4,5,5-octafluoropentyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

676.00586 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.013136 212.8
[M+Na]+ 698.995078 217.6
[M-H]- 674.998584 221.2
[M+NH4]+ 694.039683 225.7
[M+K]+ 714.969018 230.0
[M+H-H2O]+ 659.003120 198.3
[M+HCOO]- 721.004061 222.6
[M+CH3COO]- 735.019711 265.2
[M+Na-2H]- 696.980526 210.1
[M]+ 676.00531142 205.6
[M]- 676.00640858 205.6
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