CID 611322

4027-54-7

Structural Information

Molecular Formula

C₁₀H₇F₃N₂

SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F

InChI

InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)

InChIKey

KJKWJOAARUHGNU-UHFFFAOYSA-N

Compound name

3-phenyl-5-(trifluoromethyl)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 212.05614 Da
Monoisotopic Mass: 2.8
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]+	213.06342	146.4
[M+Na]+	235.04536	156.3
[M+NH4]+	230.08996	152.0
[M+K]+	251.01930	152.4
[M-H]-	211.04886	143.9
[M+Na-2H]-	233.03081	152.3
[M]+	212.05559	146.8
[M]-	212.05669	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe