CID 23569312

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

Structural Information

Molecular Formula

C₄H₄F₃N₃

SMILES

C1=NNC(=C1C(F)(F)F)N

InChI

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

InChIKey

KBVOILKOLGWPBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
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	123.6
[M+Na]+	174.02496	133.3
[M-H]-	150.02846	119.6
[M+NH4]+	169.06956	142.9
[M+K]+	189.99890	130.5
[M+H-H2O]+	134.03300	115.1
[M+HCOO]-	196.03394	142.1
[M+CH3COO]-	210.04959	172.3
[M+Na-2H]-	172.01041	129.2
[M]+	151.03519	116.1
[M]-	151.03629	116.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe