CID 479925

6,8-dichloro-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H9Cl2NO4
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Cl)Cl)OC2=O
InChI
InChI=1S/C15H9Cl2NO4/c1-21-10-4-2-9(3-5-10)18-14(19)11-6-8(16)7-12(17)13(11)22-15(18)20/h2-7H,1H3
InChIKey
SATNOVAQTQZKIN-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

336.99088 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.99816 168.1
[M+Na]+ 359.98010 182.4
[M-H]- 335.98360 175.8
[M+NH4]+ 355.02470 182.2
[M+K]+ 375.95404 177.5
[M+H-H2O]+ 319.98814 160.9
[M+HCOO]- 381.98908 180.8
[M+CH3COO]- 396.00473 181.2
[M+Na-2H]- 357.96555 173.8
[M]+ 336.99033 177.5
[M]- 336.99143 177.5
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

No patent data available for this compound.