CID 5388017

Nsc630887

Structural Information

Molecular Formula
C16H9Cl2NO2
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=C(C=CC(=C3)Cl)Cl)/C(=O)O2
InChI
InChI=1S/C16H9Cl2NO2/c17-12-6-7-13(18)11(8-12)9-14-16(20)21-15(19-14)10-4-2-1-3-5-10/h1-9H/b14-9-
InChIKey
UZTSALONRCHSCZ-ZROIWOOFSA-N
Compound name
(4Z)-4-[(2,5-dichlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00104 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.