CID 53408421

6-furan-2-yl-1h-indazole

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=COC(=C1)C2=CC3=C(C=C2)C=NN3

InChI

InChI=1S/C11H8N2O/c1-2-11(14-5-1)8-3-4-9-7-12-13-10(9)6-8/h1-7H,(H,12,13)

InChIKey

DYIYVKCOAHSLAN-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 184.06366 Da
Monoisotopic Mass: 2.3
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]+	185.07094	135.5
[M+Na]+	207.05288	150.3
[M+NH4]+	202.09748	144.7
[M+K]+	223.02682	147.2
[M-H]-	183.05638	139.9
[M+Na-2H]-	205.03833	143.9
[M]+	184.06311	138.9
[M]-	184.06421	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe