CID 5275719

Benzeneacetonitrile, a-[3-(4-chlorophenyl)-2,4-dioxo-5-oxazolidinylidene]-

Structural Information

Molecular Formula
C17H9ClN2O3
SMILES
C1=CC=C(C=C1)/C(=C/2\C(=O)N(C(=O)O2)C3=CC=C(C=C3)Cl)/C#N
InChI
InChI=1S/C17H9ClN2O3/c18-12-6-8-13(9-7-12)20-16(21)15(23-17(20)22)14(10-19)11-4-2-1-3-5-11/h1-9H/b15-14+
InChIKey
CQHOAGWYFADGRR-CCEZHUSRSA-N
Compound name
(2Z)-2-[3-(4-chlorophenyl)-2,4-dioxo-1,3-oxazolidin-5-ylidene]-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.03018 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.03746 176.4
[M+Na]+ 347.01940 188.3
[M-H]- 323.02290 183.4
[M+NH4]+ 342.06400 188.5
[M+K]+ 362.99334 180.6
[M+H-H2O]+ 307.02744 161.7
[M+HCOO]- 369.02838 189.0
[M+CH3COO]- 383.04403 186.3
[M+Na-2H]- 345.00485 176.1
[M]+ 324.02963 172.5
[M]- 324.03073 172.5
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.