CID 5275722

Chembl363514

Structural Information

Molecular Formula
C17H8Cl2N2O3
SMILES
C1=CC(=CC=C1/C(=C/2\C(=O)N(C(=O)O2)C3=CC=C(C=C3)Cl)/C#N)Cl
InChI
InChI=1S/C17H8Cl2N2O3/c18-11-3-1-10(2-4-11)14(9-20)15-16(22)21(17(23)24-15)13-7-5-12(19)6-8-13/h1-8H/b15-14+
InChIKey
MMECWWPRMHQXME-CCEZHUSRSA-N
Compound name
(2Z)-2-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-1,3-oxazolidin-5-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.9912 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.99848 182.9
[M+Na]+ 380.98042 196.0
[M-H]- 356.98392 189.6
[M+NH4]+ 376.02502 194.5
[M+K]+ 396.95436 187.3
[M+H-H2O]+ 340.98846 168.9
[M+HCOO]- 402.98940 190.9
[M+CH3COO]- 417.00505 192.3
[M+Na-2H]- 378.96587 181.2
[M]+ 357.99065 180.6
[M]- 357.99175 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.