CID 3040210

Brn 0794076

Structural Information

Molecular Formula

C₉H₅Cl₂N₃O₂

SMILES

C1=CC(=C(C=C1C(=O)C2=NOC(=N2)N)Cl)Cl

InChI

InChI=1S/C9H5Cl2N3O2/c10-5-2-1-4(3-6(5)11)7(15)8-13-9(12)16-14-8/h1-3H,(H2,12,13,14)

InChIKey

SKJOLNCFOWTFHH-UHFFFAOYSA-N

Compound name

(5-amino-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.9759 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]+	257.983176	151.5
[M+Na]+	279.965118	162.9
[M-H]-	255.968624	156.0
[M+NH4]+	275.009723	167.0
[M+K]+	295.939058	158.5
[M+H-H2O]+	239.973160	144.5
[M+HCOO]-	301.974101	164.7
[M+CH3COO]-	315.989751	164.2
[M+Na-2H]-	277.950566	154.8
[M]+	256.97535142	155.1
[M]-	256.97644858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe