CID 132092291

2146141-67-3

Structural Information

Molecular Formula

C₁₂H₁₀F₂N₂O

SMILES

C=CCC(C1=NC2=CC=CC=C2NC1=O)(F)F

InChI

InChI=1S/C12H10F2N2O/c1-2-7-12(13,14)10-11(17)16-9-6-4-3-5-8(9)15-10/h2-6H,1,7H2,(H,16,17)

InChIKey

HMCWKTABBJDYTO-UHFFFAOYSA-N

Compound name

3-(1,1-difluorobut-3-enyl)-1H-quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 236.07613 Da
Monoisotopic Mass: 2.5
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]+	237.08341	151.3
[M+Na]+	259.06535	163.2
[M+NH4]+	254.10995	157.1
[M+K]+	275.03929	156.9
[M-H]-	235.06885	148.8
[M+Na-2H]-	257.05080	156.2
[M]+	236.07558	152.1
[M]-	236.07668	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe