CID 11808323

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

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
CC1=CC2=C(C=C1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H10ClNO3/c1-9-5-6-12-13(7-9)20-15(19)17(14(12)18)11-4-2-3-10(16)8-11/h2-8H,1H3
InChIKey
SGDJAMPIRUOBOK-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-7-methyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.0349 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 159.7
[M+Na]+ 310.02412 173.2
[M-H]- 286.02762 168.0
[M+NH4]+ 305.06872 175.3
[M+K]+ 325.99806 168.4
[M+H-H2O]+ 270.03216 152.0
[M+HCOO]- 332.03310 177.5
[M+CH3COO]- 346.04875 173.5
[M+Na-2H]- 308.00957 166.9
[M]+ 287.03435 166.1
[M]- 287.03545 166.1
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.