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

14
Patents

226.95819 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.965466 137.9
[M+Na]+ 249.947408 149.6
[M-H]- 225.950914 143.1
[M+NH4]+ 244.992013 157.6
[M+K]+ 265.921348 139.5
[M+H-H2O]+ 209.955450 138.1
[M+HCOO]- 271.956391 154.5
[M+CH3COO]- 285.972041 152.6
[M+Na-2H]- 247.932856 147.6
[M]+ 226.95764142 154.4
[M]- 226.95873858 154.4
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