CID 25918963

1017783-09-3

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1C2=C(C=CC(=C2)Br)NC(=O)O1
InChI
InChI=1S/C8H6BrNO2/c9-6-1-2-7-5(3-6)4-12-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
SSTOTANBGDRSRF-UHFFFAOYSA-N
Compound name
6-bromo-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
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