CID 46856481

7-bromo-5-methyl-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CC1=CC(=CC2=C1NC(=O)CO2)Br
InChI
InChI=1S/C9H8BrNO2/c1-5-2-6(10)3-7-9(5)11-8(12)4-13-7/h2-3H,4H2,1H3,(H,11,12)
InChIKey
IYSDCEZFENKVMP-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 142.5
[M+Na]+ 263.96307 154.7
[M-H]- 239.96657 147.9
[M+NH4]+ 259.00767 161.9
[M+K]+ 279.93701 144.3
[M+H-H2O]+ 223.97111 142.6
[M+HCOO]- 285.97205 158.7
[M+CH3COO]- 299.98770 186.5
[M+Na-2H]- 261.94852 150.9
[M]+ 240.97330 159.7
[M]- 240.97440 159.7
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.