CID 817909

3-amino-6-(trifluoromethyl)-1h-indazole

Structural Information

Molecular Formula

C₈H₆F₃N₃

SMILES

C1=CC2=C(C=C1C(F)(F)F)NN=C2N

InChI

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

InChIKey

ZMPFPQFXUYYHSJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
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	136.2
[M+Na]+	224.04060	147.8
[M-H]-	200.04410	133.6
[M+NH4]+	219.08520	154.9
[M+K]+	240.01454	142.7
[M+H-H2O]+	184.04864	127.5
[M+HCOO]-	246.04958	154.7
[M+CH3COO]-	260.06523	182.6
[M+Na-2H]-	222.02605	143.1
[M]+	201.05083	131.1
[M]-	201.05193	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe