CID 17024655

855343-08-7

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

CC1=C(C(=NN1)C(F)(F)F)N

InChI

InChI=1S/C5H6F3N3/c1-2-3(9)4(11-10-2)5(6,7)8/h9H2,1H3,(H,10,11)

InChIKey

FWESVKQTXZFZAH-UHFFFAOYSA-N

Compound name

5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 165.05138 Da
Monoisotopic Mass: 0.9
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]+	166.05866	133.1
[M+Na]+	188.04060	140.2
[M+NH4]+	183.08520	137.7
[M+K]+	204.01454	138.6
[M-H]-	164.04410	128.3
[M+Na-2H]-	186.02605	135.5
[M]+	165.05083	132.2
[M]-	165.05193	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe