CID 51574

Chlozolinate

Structural Information

Molecular Formula
C13H11Cl2NO5
SMILES
CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C
InChI
InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3
InChIKey
IGUYEXXAGBDLLX-UHFFFAOYSA-N
Compound name
ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

16565
Patents

331.00143 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.00871 163.9
[M+Na]+ 353.99065 175.5
[M-H]- 329.99415 170.5
[M+NH4]+ 349.03525 180.8
[M+K]+ 369.96459 172.1
[M+H-H2O]+ 313.99869 159.5
[M+HCOO]- 375.99963 175.3
[M+CH3COO]- 390.01528 204.1
[M+Na-2H]- 351.97610 165.1
[M]+ 331.00088 171.4
[M]- 331.00198 171.4
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

patents stripe