CID 67295555

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

Structural Information

Molecular Formula

C₄H₄F₃N₃

SMILES

C1=CN(N=C1N)C(F)(F)F

InChI

InChI=1S/C4H4F3N3/c5-4(6,7)10-2-1-3(8)9-10/h1-2H,(H2,8,9)

InChIKey

WLAVTCUAYOCGCM-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 151.03574 Da
Monoisotopic Mass: 1.0
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	128.5
[M+Na]+	174.02496	135.9
[M+NH4]+	169.06956	133.6
[M+K]+	189.99890	134.1
[M-H]-	150.02846	124.2
[M+Na-2H]-	172.01041	132.0
[M]+	151.03519	127.8
[M]-	151.03629	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe