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: 43765
Patents: 284.99594 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.003216	155.7
[M+Na]+	307.985158	168.3
[M-H]-	283.988664	162.2
[M+NH4]+	303.029763	174.6
[M+K]+	323.959098	163.3
[M+H-H2O]+	267.993200	151.3
[M+HCOO]-	329.994141	167.8
[M+CH3COO]-	344.009791	196.6
[M+Na-2H]-	305.970606	157.9
[M]+	284.99539142	160.5
[M]-	284.99648858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe