CID 2726651

685123-47-1

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

C1=CC(=CC=C1C2=NC(=NO2)CO)Cl

InChI

InChI=1S/C9H7ClN2O2/c10-7-3-1-6(2-4-7)9-11-8(5-13)12-14-9/h1-4,13H,5H2

InChIKey

PLRDZVBEOOYILK-UHFFFAOYSA-N

Compound name

[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 210.0196 Da
Monoisotopic Mass: 1.6
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]+	211.02688	140.7
[M+Na]+	233.00882	155.6
[M+NH4]+	228.05342	148.8
[M+K]+	248.98276	151.1
[M-H]-	209.01232	144.2
[M+Na-2H]-	230.99427	148.4
[M]+	210.01905	144.1
[M]-	210.02015	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe