CID 22747510

1-(2,2,2-trifluoroethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H5F3N2
SMILES
C1=CN(N=C1)CC(F)(F)F
InChI
InChI=1S/C5H5F3N2/c6-5(7,8)4-10-3-1-2-9-10/h1-3H,4H2
InChIKey
DNHVFNDOHJKATM-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

446
Patents

150.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04776 123.8
[M+Na]+ 173.02970 133.5
[M-H]- 149.03320 121.1
[M+NH4]+ 168.07430 144.1
[M+K]+ 189.00364 132.0
[M+H-H2O]+ 133.03774 114.9
[M+HCOO]- 195.03868 143.0
[M+CH3COO]- 209.05433 172.9
[M+Na-2H]- 171.01515 130.7
[M]+ 150.03993 119.9
[M]- 150.04103 119.9
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

patents stripe