CID 91636204

5-bromo-4-fluoroisatoic anhydride

Structural Information

Molecular Formula

C₈H₃BrFNO₃

SMILES

C1=C2C(=CC(=C1Br)F)NC(=O)OC2=O

InChI

InChI=1S/C8H3BrFNO3/c9-4-1-3-6(2-5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13)

InChIKey

KSIGHJQLNMQVPU-UHFFFAOYSA-N

Compound name

6-bromo-7-fluoro-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 258.92804 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.93532	143.6
[M+Na]+	281.91726	148.6
[M+NH4]+	276.96186	147.2
[M+K]+	297.89120	149.1
[M-H]-	257.92076	143.3
[M+Na-2H]-	279.90271	145.9
[M]+	258.92749	143.0
[M]-	258.92859	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe