CID 99982813

1706440-17-6

Structural Information

Molecular Formula

C₅H₆F₃N₃

SMILES

C1=C(C=NN1C(F)(F)F)CN

InChI

InChI=1S/C5H6F3N3/c6-5(7,8)11-3-4(1-9)2-10-11/h2-3H,1,9H2

InChIKey

ISWSQSVEDDSCDE-UHFFFAOYSA-N

Compound name

[1-(trifluoromethyl)pyrazol-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.05138 Da
Monoisotopic Mass: 0.2
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	132.7
[M+Na]+	188.04060	139.9
[M+NH4]+	183.08520	137.7
[M+K]+	204.01454	137.8
[M-H]-	164.04410	128.3
[M+Na-2H]-	186.02605	135.9
[M]+	165.05083	131.9
[M]-	165.05193	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.