CID 62727454

1-(1-(2,2,2-trifluoroethyl)-1h-pyrazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
CC(=O)C1=CN(N=C1)CC(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-5(13)6-2-11-12(3-6)4-7(8,9)10/h2-3H,4H2,1H3
InChIKey
DLCXGHUMNCIWRW-UHFFFAOYSA-N
Compound name
1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

192.05104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 143.2
[M+Na]+ 215.04026 150.8
[M+NH4]+ 210.08486 147.6
[M+K]+ 231.01420 148.6
[M-H]- 191.04376 137.8
[M+Na-2H]- 213.02571 145.5
[M]+ 192.05049 142.3
[M]- 192.05159 142.3
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

patents stripe