CID 297801

101976-62-9

Structural Information

Molecular Formula
C14H22F6NO3P
SMILES
CC(C)(C)C1CC(OP(=O)(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H22F6NO3P/c1-11(2,3)10-9-12(13(15,16)17,14(18,19)20)24-25(22,23-10)21-7-5-4-6-8-21/h10H,4-9H2,1-3H3
InChIKey
WVCXYZKAXPUFKQ-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.12415 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.13143 190.1
[M+Na]+ 420.11337 196.0
[M-H]- 396.11687 186.9
[M+NH4]+ 415.15797 201.5
[M+K]+ 436.08731 196.1
[M+H-H2O]+ 380.12141 177.5
[M+HCOO]- 442.12235 197.5
[M+CH3COO]- 456.13800 217.0
[M+Na-2H]- 418.09882 191.7
[M]+ 397.12360 179.6
[M]- 397.12470 179.6
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.