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]+ 168.06308 131.2
[M+Na]+ 190.04502 137.8
[M-H]- 166.04852 127.7
[M+NH4]+ 185.08962 151.0
[M+K]+ 206.01896 136.0
[M+H-H2O]+ 150.05306 123.4
[M+HCOO]- 212.05400 146.3
[M+CH3COO]- 226.06965 173.0
[M+Na-2H]- 188.03047 133.8
[M]+ 167.05525 122.3
[M]- 167.05635 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.