CID 3011874

2-(2-bromophenyl)-8-methoxy-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H10BrNO3
SMILES
COC1=CC=CC2=C1N=C(OC2=O)C3=CC=CC=C3Br
InChI
InChI=1S/C15H10BrNO3/c1-19-12-8-4-6-10-13(12)17-14(20-15(10)18)9-5-2-3-7-11(9)16/h2-8H,1H3
InChIKey
JDCWLTKCBBFHDD-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-8-methoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

330.9844 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.99168 164.4
[M+Na]+ 353.97362 177.9
[M-H]- 329.97712 174.5
[M+NH4]+ 349.01822 180.8
[M+K]+ 369.94756 167.7
[M+H-H2O]+ 313.98166 162.6
[M+HCOO]- 375.98260 184.1
[M+CH3COO]- 389.99825 179.1
[M+Na-2H]- 351.95907 173.3
[M]+ 330.98385 187.1
[M]- 330.98495 187.1
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.