CID 4690

Methazole

Structural Information

Molecular Formula
C9H6Cl2N2O3
SMILES
CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKey
LRUUNMYPIBZBQH-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

12013
Patents

259.97556 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98284 148.1
[M+Na]+ 282.96478 162.6
[M-H]- 258.96828 153.7
[M+NH4]+ 278.00938 164.7
[M+K]+ 298.93872 158.2
[M+H-H2O]+ 242.97282 141.8
[M+HCOO]- 304.97376 162.1
[M+CH3COO]- 318.98941 191.3
[M+Na-2H]- 280.95023 151.7
[M]+ 259.97501 155.3
[M]- 259.97611 155.3
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