CID 53249813

5-(furan-2-yl)-1h-indazole

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1=COC(=C1)C2=CC3=C(C=C2)NN=C3

InChI

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

InChIKey

LAMFLSORFDHFFB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	185.070936	134.5
[M+Na]+	207.052878	145.4
[M-H]-	183.056384	139.9
[M+NH4]+	202.097483	154.3
[M+K]+	223.026818	142.3
[M+H-H2O]+	167.060920	127.7
[M+HCOO]-	229.061861	158.0
[M+CH3COO]-	243.077511	149.0
[M+Na-2H]-	205.038326	142.0
[M]+	184.06311142	136.1
[M]-	184.06420858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe