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: 429
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]+	151.047756	123.5
[M+Na]+	173.029698	134.1
[M-H]-	149.033204	121.2
[M+NH4]+	168.074303	144.2
[M+K]+	189.003638	132.6
[M+H-H2O]+	133.037740	115.0
[M+HCOO]-	195.038681	142.8
[M+CH3COO]-	209.054331	173.9
[M+Na-2H]-	171.015146	129.7
[M]+	150.03993142	120.0
[M]-	150.04102858	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe