CID 3041366

54014-07-2

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

C1=CC(=CC=C1C2=NN=C(O2)CO)Cl

InChI

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

InChIKey

MJZPGYRFLJFAKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 210.0196 Da
Monoisotopic Mass: 1.2
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]+	211.02688	140.4
[M+Na]+	233.00882	151.3
[M-H]-	209.01232	144.3
[M+NH4]+	228.05342	157.3
[M+K]+	248.98276	147.8
[M+H-H2O]+	193.01686	133.4
[M+HCOO]-	255.01780	157.8
[M+CH3COO]-	269.03345	154.0
[M+Na-2H]-	230.99427	146.7
[M]+	210.01905	143.7
[M]-	210.02015	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe