CID 16736

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

Structural Information

Molecular Formula

C₈H₆F₃N₃

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=NN2)N

InChI

InChI=1S/C8H6F3N3/c9-8(10,11)4-1-2-6-5(3-4)7(12)14-13-6/h1-3H,(H3,12,13,14)

InChIKey

ZXZTZRVCWTWKCH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 94
Patents: 201.05138 Da
Monoisotopic Mass: 2.1
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]+	202.05866	137.3
[M+Na]+	224.04060	146.4
[M+NH4]+	219.08520	142.8
[M+K]+	240.01454	143.7
[M-H]-	200.04410	133.7
[M+Na-2H]-	222.02605	141.4
[M]+	201.05083	137.2
[M]-	201.05193	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe