CID 19623305

5-(trifluoromethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula

C₄H₄F₃N₃

SMILES

C1=C(NN=C1N)C(F)(F)F

InChI

InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10)

InChIKey

WVORIWCOSAWJJE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 365
Patents: 151.03574 Da
Monoisotopic Mass: 0.8
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]+	152.04302	128.1
[M+Na]+	174.02496	135.0
[M+NH4]+	169.06956	132.9
[M+K]+	189.99890	133.5
[M-H]-	150.02846	123.3
[M+Na-2H]-	172.01041	131.0
[M]+	151.03519	127.1
[M]-	151.03629	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe