CID 138039797

2,2,2-trifluoro-1-(1,4,5,6-tetrahydropyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8F3NO
SMILES
C1CC(=CNC1)C(=O)C(F)(F)F
InChI
InChI=1S/C7H8F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h4,11H,1-3H2
InChIKey
OJBRAZAWYHRBAV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1,2,3,4-tetrahydropyridin-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06308 133.8
[M+Na]+ 202.04502 140.2
[M-H]- 178.04852 130.2
[M+NH4]+ 197.08962 151.4
[M+K]+ 218.01896 137.7
[M+H-H2O]+ 162.05306 125.5
[M+HCOO]- 224.05400 147.9
[M+CH3COO]- 238.06965 175.9
[M+Na-2H]- 200.03047 138.2
[M]+ 179.05525 124.6
[M]- 179.05635 124.6
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.