CID 163311936

Lrhbfkvvrmxllf-rkdxnwhrsa-n

Structural Information

Molecular Formula
C14H15F4NO4
SMILES
C1[C@H](CN(C[C@@H]1O)C(=O)C2=CC=CC=C2OC(C(F)F)(F)F)O
InChI
InChI=1S/C14H15F4NO4/c15-13(16)14(17,18)23-11-4-2-1-3-10(11)12(22)19-6-8(20)5-9(21)7-19/h1-4,8-9,13,20-21H,5-7H2/t8-,9-/m1/s1
InChIKey
LRHBFKVVRMXLLF-RKDXNWHRSA-N
Compound name
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.09372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10100 171.6
[M+Na]+ 360.08294 177.1
[M-H]- 336.08644 168.5
[M+NH4]+ 355.12754 182.0
[M+K]+ 376.05688 173.5
[M+H-H2O]+ 320.09098 160.8
[M+HCOO]- 382.09192 180.3
[M+CH3COO]- 396.10757 204.3
[M+Na-2H]- 358.06839 170.0
[M]+ 337.09317 163.0
[M]- 337.09427 163.0
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.