CID 165942654

2,2,2-trifluoro-1-(pyrrolidin-3-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C6H8F3NO
SMILES
C1CNCC1C(=O)C(F)(F)F
InChI
InChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-1-2-10-3-4/h4,10H,1-3H2
InChIKey
FOCROHOEBDFHBY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-pyrrolidin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0558 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.063076 131.2
[M+Na]+ 190.045018 137.8
[M-H]- 166.048524 127.7
[M+NH4]+ 185.089623 151.0
[M+K]+ 206.018958 136.0
[M+H-H2O]+ 150.053060 123.4
[M+HCOO]- 212.054001 146.3
[M+CH3COO]- 226.069651 173.0
[M+Na-2H]- 188.030466 133.8
[M]+ 167.05525142 122.3
[M]- 167.05634858 122.3
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.