CID 483794

335665-52-6

Structural Information

Molecular Formula
C19H16F3NO2
SMILES
C1CC1C#C[C@](C2=CC=CNC2=O)(C(F)(F)F)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16F3NO2/c20-19(21,22)18(11-10-14-8-9-14,16-7-4-12-23-17(16)24)25-13-15-5-2-1-3-6-15/h1-7,12,14H,8-9,13H2,(H,23,24)/t18-/m0/s1
InChIKey
MCOWTFYQFKENOA-SFHVURJKSA-N
Compound name
3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-phenylmethoxybut-3-yn-2-yl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1133 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12058 174.3
[M+Na]+ 370.10252 188.2
[M-H]- 346.10602 176.6
[M+NH4]+ 365.14712 180.9
[M+K]+ 386.07646 177.4
[M+H-H2O]+ 330.11056 160.2
[M+HCOO]- 392.11150 185.9
[M+CH3COO]- 406.12715 212.9
[M+Na-2H]- 368.08797 178.8
[M]+ 347.11275 168.2
[M]- 347.11385 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.