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: 50
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]+	152.043016	123.1
[M+Na]+	174.024958	133.2
[M-H]-	150.028464	120.5
[M+NH4]+	169.069563	143.1
[M+K]+	189.998898	131.4
[M+H-H2O]+	134.033000	114.3
[M+HCOO]-	196.033941	143.1
[M+CH3COO]-	210.049591	174.9
[M+Na-2H]-	172.010406	129.2
[M]+	151.03519142	117.4
[M]-	151.03628858	117.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe