CID 39676

Vinclozolin

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C
InChI
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
InChIKey
FSCWZHGZWWDELK-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

521
References

39131
Patents

284.99594 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00322 155.9
[M+Na]+ 307.98516 170.4
[M+NH4]+ 303.02976 164.7
[M+K]+ 323.95910 163.6
[M-H]- 283.98866 159.0
[M+Na-2H]- 305.97061 162.4
[M]+ 284.99539 159.5
[M]- 284.99649 159.5
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