CID 43152989

6-bromo-3-oxo-3,4-dihydro-2h-1,4-benzoxazine-7-carboxylic acid

Structural Information

Molecular Formula
C9H6BrNO4
SMILES
C1C(=O)NC2=C(O1)C=C(C(=C2)Br)C(=O)O
InChI
InChI=1S/C9H6BrNO4/c10-5-2-6-7(1-4(5)9(13)14)15-3-8(12)11-6/h1-2H,3H2,(H,11,12)(H,13,14)
InChIKey
HJUJCCYAKOLUSO-UHFFFAOYSA-N
Compound name
6-bromo-3-oxo-4H-1,4-benzoxazine-7-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 146.8
[M+Na]+ 293.93725 149.3
[M+NH4]+ 288.98185 150.0
[M+K]+ 309.91119 151.4
[M-H]- 269.94075 146.4
[M+Na-2H]- 291.92270 147.1
[M]+ 270.94748 145.6
[M]- 270.94858 145.6
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.