CID 463051

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

Structural Information

Molecular Formula
C15H10BrNO4
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)OC2=O
InChI
InChI=1S/C15H10BrNO4/c1-20-11-5-3-10(4-6-11)17-14(18)12-8-9(16)2-7-13(12)21-15(17)19/h2-8H,1H3
InChIKey
CFEHBHOSFKWXQB-UHFFFAOYSA-N
Compound name
6-bromo-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.9793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.98658 165.8
[M+Na]+ 369.96852 180.1
[M-H]- 345.97202 176.3
[M+NH4]+ 365.01312 181.6
[M+K]+ 385.94246 170.1
[M+H-H2O]+ 329.97656 163.8
[M+HCOO]- 391.97750 185.8
[M+CH3COO]- 405.99315 180.7
[M+Na-2H]- 367.95397 174.1
[M]+ 346.97875 189.5
[M]- 346.97985 189.5
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

No patent data available for this compound.