CID 577295

51038-44-9

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=CO3

InChI

InChI=1S/C13H10N2O2/c1-9-5-2-3-6-10(9)12-14-15-13(17-12)11-7-4-8-16-11/h2-8H,1H3

InChIKey

YMJXPGQMJRCACX-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-5-(2-methylphenyl)-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 226.07423 Da
Monoisotopic Mass: 2.5
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]+	227.081506	145.1
[M+Na]+	249.063448	156.4
[M-H]-	225.066954	154.9
[M+NH4]+	244.108053	161.4
[M+K]+	265.037388	155.2
[M+H-H2O]+	209.071490	137.6
[M+HCOO]-	271.072431	170.1
[M+CH3COO]-	285.088081	160.0
[M+Na-2H]-	247.048896	151.1
[M]+	226.07368142	150.2
[M]-	226.07477858	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe