CID 43158951

182923-55-3

Structural Information

Molecular Formula

C₁₀H₈F₃N₃

SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)N

InChI

InChI=1S/C10H8F3N3/c11-10(12,13)8-6-9(14)16(15-8)7-4-2-1-3-5-7/h1-6H,14H2

InChIKey

ATZQHBMKRKOPKS-UHFFFAOYSA-N

Compound name

2-phenyl-5-(trifluoromethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 227.06703 Da
Monoisotopic Mass: 2.5
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]+	228.07431	148.0
[M+Na]+	250.05625	157.3
[M+NH4]+	245.10085	153.3
[M+K]+	266.03019	154.0
[M-H]-	226.05975	146.1
[M+Na-2H]-	248.04170	153.6
[M]+	227.06648	148.4
[M]-	227.06758	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe