CID 46856485

1245808-46-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.