CID 491325

5,6-dichloro-3-(trifluoromethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H3Cl2F3N2O
SMILES
C1=CC(=C(C2=C1NC(=O)C(=N2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C9H3Cl2F3N2O/c10-3-1-2-4-6(5(3)11)16-7(8(17)15-4)9(12,13)14/h1-2H,(H,15,17)
InChIKey
DOWYDKOFWVXXMT-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.95746 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96474 148.7
[M+Na]+ 304.94668 162.6
[M-H]- 280.95018 145.7
[M+NH4]+ 299.99128 164.4
[M+K]+ 320.92062 154.9
[M+H-H2O]+ 264.95472 140.8
[M+HCOO]- 326.95566 154.8
[M+CH3COO]- 340.97131 193.7
[M+Na-2H]- 302.93213 154.6
[M]+ 281.95691 148.1
[M]- 281.95801 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.