CID 53408070

5-(4-fluorophenyl)-1h-indazole

Structural Information

Molecular Formula

C₁₃H₉FN₂

SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)NN=C3)F

InChI

InChI=1S/C13H9FN2/c14-12-4-1-9(2-5-12)10-3-6-13-11(7-10)8-15-16-13/h1-8H,(H,15,16)

InChIKey

HKAWBFIKAUENTE-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 212.07498 Da
Monoisotopic Mass: 3.3
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]+	213.08226	144.2
[M+Na]+	235.06420	160.0
[M+NH4]+	230.10880	153.2
[M+K]+	251.03814	153.3
[M-H]-	211.06770	147.1
[M+Na-2H]-	233.04965	153.8
[M]+	212.07443	147.4
[M]-	212.07553	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe