CID 14305112

7-bromo-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1C(=O)NC2=C(O1)C=C(C=C2)Br
InChI
InChI=1S/C8H6BrNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
ZAXUQDMKVBOVCR-UHFFFAOYSA-N
Compound name
7-bromo-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

226.95819 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 137.6
[M+Na]+ 249.94741 141.7
[M+NH4]+ 244.99201 142.7
[M+K]+ 265.92135 142.0
[M-H]- 225.95091 139.0
[M+Na-2H]- 247.93286 140.2
[M]+ 226.95764 137.4
[M]- 226.95874 137.4
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

patents stripe