CID 207518

30148-97-1

Structural Information

Molecular Formula
C10H8Cl2N2O3
SMILES
CN1C(=O)N(CC(=O)O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2N2O3/c1-13-10(16)14(5-9(15)17-13)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKey
ALWRFUWBKAJPBD-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)-2-methyl-1,2,4-oxadiazinane-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9912 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99848 154.3
[M+Na]+ 296.98042 165.5
[M-H]- 272.98392 158.7
[M+NH4]+ 292.02502 168.2
[M+K]+ 312.95436 161.6
[M+H-H2O]+ 256.98846 147.3
[M+HCOO]- 318.98940 163.1
[M+CH3COO]- 333.00505 195.3
[M+Na-2H]- 294.96587 157.3
[M]+ 273.99065 157.1
[M]- 273.99175 157.1
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

patents stripe