CID 822839

91895-29-3

Structural Information

Molecular Formula

C₈H₄F₂N₂O₂

SMILES

C1=C2C(=CC(=C1F)F)NC(=O)C(=O)N2

InChI

InChI=1S/C8H4F2N2O2/c9-3-1-5-6(2-4(3)10)12-8(14)7(13)11-5/h1-2H,(H,11,13)(H,12,14)

InChIKey

KFUMSIBOUBHLIJ-UHFFFAOYSA-N

Compound name

6,7-difluoro-1,4-dihydroquinoxaline-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 198.02408 Da
Monoisotopic Mass: 0.4
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]+	199.03136	137.6
[M+Na]+	221.01330	150.3
[M+NH4]+	216.05790	143.3
[M+K]+	236.98724	144.9
[M-H]-	197.01680	135.0
[M+Na-2H]-	218.99875	142.1
[M]+	198.02353	138.3
[M]-	198.02463	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe