CID 10881234

3-(3-chlorophenyl)-7-methoxy-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H10ClNO4
SMILES
COC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClNO4/c1-20-11-5-6-12-13(8-11)21-15(19)17(14(12)18)10-4-2-3-9(16)7-10/h2-8H,1H3
InChIKey
ZLUIMJNDGICXLP-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-7-methoxy-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.02985 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03713 162.5
[M+Na]+ 326.01907 175.8
[M-H]- 302.02257 170.8
[M+NH4]+ 321.06367 177.3
[M+K]+ 341.99301 171.7
[M+H-H2O]+ 286.02711 154.6
[M+HCOO]- 348.02805 180.5
[M+CH3COO]- 362.04370 176.2
[M+Na-2H]- 324.00452 169.8
[M]+ 303.02930 170.3
[M]- 303.03040 170.3
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

No patent data available for this compound.