CID 17606583

6-bromo-1-methyl-1h-benzo[d][1,3]oxazine-2,4-dione

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
CN1C2=C(C=C(C=C2)Br)C(=O)OC1=O
InChI
InChI=1S/C9H6BrNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3
InChIKey
DPPLNMPUIUGPAO-UHFFFAOYSA-N
Compound name
6-bromo-1-methyl-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

254.95311 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96039 139.0
[M+Na]+ 277.94233 154.5
[M-H]- 253.94583 146.9
[M+NH4]+ 272.98693 159.0
[M+K]+ 293.91627 144.8
[M+H-H2O]+ 237.95037 138.9
[M+HCOO]- 299.95131 159.8
[M+CH3COO]- 313.96696 190.7
[M+Na-2H]- 275.92778 149.3
[M]+ 254.95256 161.8
[M]- 254.95366 161.8
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