CID 84046254

1782554-43-1

Structural Information

Molecular Formula
C9H6BrNO4
SMILES
C1C(=O)NC2=C(C=C(C=C2O1)Br)C(=O)O
InChI
InChI=1S/C9H6BrNO4/c10-4-1-5(9(13)14)8-6(2-4)15-3-7(12)11-8/h1-2H,3H2,(H,11,12)(H,13,14)
InChIKey
HAZBHNNHAQZIKG-UHFFFAOYSA-N
Compound name
7-bromo-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.94803 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.95531 147.0
[M+Na]+ 293.93725 158.2
[M-H]- 269.94075 151.0
[M+NH4]+ 288.98185 164.1
[M+K]+ 309.91119 147.9
[M+H-H2O]+ 253.94529 146.8
[M+HCOO]- 315.94623 161.2
[M+CH3COO]- 329.96188 188.5
[M+Na-2H]- 291.92270 153.9
[M]+ 270.94748 163.9
[M]- 270.94858 163.9
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.