CID 129463169

2092040-62-3

Structural Information

Molecular Formula
C10H8BrNO4
SMILES
COC(=O)C1=C2C(=CC(=C1)Br)OCC(=O)N2
InChI
InChI=1S/C10H8BrNO4/c1-15-10(14)6-2-5(11)3-7-9(6)12-8(13)4-16-7/h2-3H,4H2,1H3,(H,12,13)
InChIKey
ZWHYBOKQYJERNT-UHFFFAOYSA-N
Compound name
methyl 7-bromo-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96368 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.970956 150.8
[M+Na]+ 307.952898 162.2
[M-H]- 283.956404 156.1
[M+NH4]+ 302.997503 168.2
[M+K]+ 323.926838 152.6
[M+H-H2O]+ 267.960940 150.4
[M+HCOO]- 329.961881 166.2
[M+CH3COO]- 343.977531 192.9
[M+Na-2H]- 305.938346 157.7
[M]+ 284.96313142 169.7
[M]- 284.96422858 169.7
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.