CID 18675343

2-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)Br
InChI
InChI=1S/C8H6BrNO2/c9-7-8(11)10-5-3-1-2-4-6(5)12-7/h1-4,7H,(H,10,11)
InChIKey
ZQJFOGYRODBABR-UHFFFAOYSA-N
Compound name
2-bromo-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

226.95819 Da
Monoisotopic Mass

1.8
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