CID 18007497

6-thiophen-3-yl-1h-indazole

Structural Information

Molecular Formula

C₁₁H₈N₂S

SMILES

C1=CC2=C(C=C1C3=CSC=C3)NN=C2

InChI

InChI=1S/C11H8N2S/c1-2-9-6-12-13-11(9)5-8(1)10-3-4-14-7-10/h1-7H,(H,12,13)

InChIKey

PJVRVMTZHZABIW-UHFFFAOYSA-N

Compound name

6-thiophen-3-yl-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 200.04082 Da
Monoisotopic Mass: 2.9
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]+	201.04810	139.4
[M+Na]+	223.03004	153.9
[M+NH4]+	218.07464	149.7
[M+K]+	239.00398	147.6
[M-H]-	199.03354	143.3
[M+Na-2H]-	221.01549	147.9
[M]+	200.04027	143.1
[M]-	200.04137	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe