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
8
Annotation Hits

521
References

43516
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 155.7
[M+Na]+ 307.98516 168.3
[M-H]- 283.98866 162.2
[M+NH4]+ 303.02976 174.6
[M+K]+ 323.95910 163.3
[M+H-H2O]+ 267.99320 151.3
[M+HCOO]- 329.99414 167.8
[M+CH3COO]- 344.00979 196.6
[M+Na-2H]- 305.97061 157.9
[M]+ 284.99539 160.5
[M]- 284.99649 160.5
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.