CID 84741471

5-amino-7-bromo-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H7BrN2O2
SMILES
C1C(=O)NC2=C(C=C(C=C2O1)Br)N
InChI
InChI=1S/C8H7BrN2O2/c9-4-1-5(10)8-6(2-4)13-3-7(12)11-8/h1-2H,3,10H2,(H,11,12)
InChIKey
FPHIJATXUJPVGN-UHFFFAOYSA-N
Compound name
5-amino-7-bromo-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.96909 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.97637 142.7
[M+Na]+ 264.95831 154.3
[M-H]- 240.96181 147.6
[M+NH4]+ 260.00291 161.3
[M+K]+ 280.93225 143.3
[M+H-H2O]+ 224.96635 142.1
[M+HCOO]- 286.96729 159.5
[M+CH3COO]- 300.98294 187.8
[M+Na-2H]- 262.94376 150.8
[M]+ 241.96854 157.9
[M]- 241.96964 157.9
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.