CID 47795

66000-40-6

Structural Information

Molecular Formula

C₁₀H₁₀F₃N₃

SMILES

C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)

InChIKey

CPXGGWXJNQSFEP-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 465
References: 307
Patents: 229.08269 Da
Monoisotopic Mass: 1.8
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]+	230.08997	149.6
[M+Na]+	252.07191	158.0
[M+NH4]+	247.11651	154.9
[M+K]+	268.04585	154.9
[M-H]-	228.07541	147.5
[M+Na-2H]-	250.05736	154.4
[M]+	229.08214	149.8
[M]-	229.08324	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe