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

2
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]+	237.083406	150.0
[M+Na]+	259.065348	160.1
[M-H]-	235.068854	148.1
[M+NH4]+	254.109953	165.6
[M+K]+	275.039288	154.2
[M+H-H2O]+	219.073390	141.2
[M+HCOO]-	281.074331	166.1
[M+CH3COO]-	295.089981	189.0
[M+Na-2H]-	257.050796	157.4
[M]+	236.07558142	147.0
[M]-	236.07667858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe