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: 227
Patents: 150.04048 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.04776	132.3
[M+Na]+	173.02970	141.0
[M+NH4]+	168.07430	137.9
[M+K]+	189.00364	138.1
[M-H]-	149.03320	127.9
[M+Na-2H]-	171.01515	136.0
[M]+	150.03993	131.9
[M]-	150.04103	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe