CID 1551396

57427-81-3

Structural Information

Molecular Formula

C₁₆H₉Cl₂NO₂

SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=C(C=C(C=C3)Cl)Cl)/C(=O)O2

InChI

InChI=1S/C16H9Cl2NO2/c17-12-7-6-11(13(18)9-12)8-14-16(20)21-15(19-14)10-4-2-1-3-5-10/h1-9H/b14-8-

InChIKey

YUIUWELOZNYHNL-ZSOIEALJSA-N

Compound name

(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 317.00104 Da
Monoisotopic Mass: 4.8
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]+	318.00832	170.8
[M+Na]+	339.99026	182.2
[M-H]-	315.99376	179.6
[M+NH4]+	335.03486	185.7
[M+K]+	355.96420	175.5
[M+H-H2O]+	299.99830	163.2
[M+HCOO]-	361.99924	183.7
[M+CH3COO]-	376.01489	183.0
[M+Na-2H]-	337.97571	172.5
[M]+	317.00049	174.7
[M]-	317.00159	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe