CID 125515488

2089256-07-3

Structural Information

Molecular Formula

C₁₃H₉ClN₂O₂

SMILES

C1=CC=C2C(=C1)C=C(C=C2O)C3=NN=C(O3)CCl

InChI

InChI=1S/C13H9ClN2O2/c14-7-12-15-16-13(18-12)9-5-8-3-1-2-4-10(8)11(17)6-9/h1-6,17H,7H2

InChIKey

XHWCHXBUTNQTDS-UHFFFAOYSA-N

Compound name

3-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 260.03525 Da
Monoisotopic Mass: 2.7
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]+	261.042526	153.8
[M+Na]+	283.024468	166.4
[M-H]-	259.027974	159.1
[M+NH4]+	278.069073	170.0
[M+K]+	298.998408	161.2
[M+H-H2O]+	243.032510	146.3
[M+HCOO]-	305.033451	171.1
[M+CH3COO]-	319.049101	167.2
[M+Na-2H]-	281.009916	161.0
[M]+	260.03470142	159.4
[M]-	260.03579858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.