CID 18981687

1-(trifluoromethyl)-1h-pyrazole

Structural Information

Molecular Formula

C₄H₃F₃N₂

SMILES

C1=CN(N=C1)C(F)(F)F

InChI

InChI=1S/C4H3F3N2/c5-4(6,7)9-3-1-2-8-9/h1-3H

InChIKey

JDCLOWORQIDWQP-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 347
Patents: 136.02483 Da
Monoisotopic Mass: 1.3
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]+	137.03211	119.1
[M+Na]+	159.01405	129.2
[M-H]-	135.01755	116.6
[M+NH4]+	154.05865	140.0
[M+K]+	174.98799	127.9
[M+H-H2O]+	119.02209	110.4
[M+HCOO]-	181.02303	138.6
[M+CH3COO]-	195.03868	169.8
[M+Na-2H]-	156.99950	126.5
[M]+	136.02428	114.8
[M]-	136.02538	114.8

Literature stripe

literature stripe

Patent stripe

patents stripe