CID 389439

Nsc685521

Structural Information

Molecular Formula

C₉H₆F₂N₂O

SMILES

CC1=NC2=CC(=C(C=C2NC1=O)F)F

InChI

InChI=1S/C9H6F2N2O/c1-4-9(14)13-8-3-6(11)5(10)2-7(8)12-4/h2-3H,1H3,(H,13,14)

InChIKey

FMOBBPRFTMLFEM-UHFFFAOYSA-N

Compound name

6,7-difluoro-3-methyl-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 196.04482 Da
Monoisotopic Mass: 0.9
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]+	197.05210	136.0
[M+Na]+	219.03404	148.7
[M-H]-	195.03754	135.1
[M+NH4]+	214.07864	154.0
[M+K]+	235.00798	143.6
[M+H-H2O]+	179.04208	127.6
[M+HCOO]-	241.04302	154.6
[M+CH3COO]-	255.05867	182.9
[M+Na-2H]-	217.01949	142.9
[M]+	196.04427	134.0
[M]-	196.04537	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe