CID 2751575

1-(1-piperidinyl)-2-(triphenylphosphoranylidene)perfluorohexane-1,3-dione

Structural Information

Molecular Formula
C29H25F7NO2P
SMILES
C1CCN(CC1)C(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C29H25F7NO2P/c30-27(31,28(32,33)29(34,35)36)25(38)24(26(39)37-19-11-4-12-20-37)40(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2
InChIKey
LMMKESTXRCLSNQ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-1-piperidin-1-yl-2-(triphenyl-lambda5-phosphanylidene)hexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

583.1511 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.15838 233.3
[M+Na]+ 606.14032 233.8
[M-H]- 582.14382 231.8
[M+NH4]+ 601.18492 233.2
[M+K]+ 622.11426 226.6
[M+H-H2O]+ 566.14836 213.8
[M+HCOO]- 628.14930 237.9
[M+CH3COO]- 642.16495 250.3
[M+Na-2H]- 604.12577 228.7
[M]+ 583.15055 217.6
[M]- 583.15165 217.6
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

No patent data available for this compound.