CID 15420922

1-methyl-5-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula
C5H5F3N2
SMILES
CN1C(=CC=N1)C(F)(F)F
InChI
InChI=1S/C5H5F3N2/c1-10-4(2-3-9-10)5(6,7)8/h2-3H,1H3
InChIKey
UQLANBZLKVLADA-UHFFFAOYSA-N
Compound name
1-methyl-5-(trifluoromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

150.04048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04776 123.5
[M+Na]+ 173.02970 134.1
[M-H]- 149.03320 121.2
[M+NH4]+ 168.07430 144.2
[M+K]+ 189.00364 132.6
[M+H-H2O]+ 133.03774 115.0
[M+HCOO]- 195.03868 142.8
[M+CH3COO]- 209.05433 173.9
[M+Na-2H]- 171.01515 129.7
[M]+ 150.03993 120.0
[M]- 150.04103 120.0
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