CID 53408423

885271-98-7

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

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

InChI

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

InChIKey

MWAVNERLYUXBFE-UHFFFAOYSA-N

Compound name

6-(furan-3-yl)-1H-indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.06366 Da
Monoisotopic Mass: 2.2
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	134.5
[M+Na]+	207.05288	145.4
[M-H]-	183.05638	139.9
[M+NH4]+	202.09748	154.3
[M+K]+	223.02682	142.3
[M+H-H2O]+	167.06092	127.7
[M+HCOO]-	229.06186	158.0
[M+CH3COO]-	243.07751	149.0
[M+Na-2H]-	205.03833	142.0
[M]+	184.06311	136.1
[M]-	184.06421	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe