CID 71756815

1-(difluoromethyl)-1h-indazol-5-amine

Structural Information

Molecular Formula

C₈H₇F₂N₃

SMILES

C1=CC2=C(C=C1N)C=NN2C(F)F

InChI

InChI=1S/C8H7F2N3/c9-8(10)13-7-2-1-6(11)3-5(7)4-12-13/h1-4,8H,11H2

InChIKey

QJXBGEXVNVGQTE-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)indazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 183.0608 Da
Monoisotopic Mass: 1.7
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]+	184.06808	132.3
[M+Na]+	206.05002	143.5
[M-H]-	182.05352	132.2
[M+NH4]+	201.09462	152.3
[M+K]+	222.02396	139.8
[M+H-H2O]+	166.05806	123.6
[M+HCOO]-	228.05900	154.0
[M+CH3COO]-	242.07465	145.8
[M+Na-2H]-	204.03547	138.3
[M]+	183.06025	130.2
[M]-	183.06135	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe