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: 41
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	128.5
[M+Na]+	188.04060	138.7
[M-H]-	164.04410	124.7
[M+NH4]+	183.08520	147.5
[M+K]+	204.01454	135.6
[M+H-H2O]+	148.04864	120.1
[M+HCOO]-	210.04958	146.6
[M+CH3COO]-	224.06523	176.5
[M+Na-2H]-	186.02605	132.8
[M]+	165.05083	121.6
[M]-	165.05193	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe