CID 491323

6-chloro-3-(trifluoromethyl)-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C9H4ClF3N2O
SMILES
C1=CC2=C(C=C1Cl)N=C(C(=O)N2)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2O/c10-4-1-2-5-6(3-4)14-7(8(16)15-5)9(11,12)13/h1-3H,(H,15,16)
InChIKey
HCVNVVXVDFMYLC-UHFFFAOYSA-N
Compound name
6-chloro-3-(trifluoromethyl)-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.99643 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.003706 144.6
[M+Na]+ 270.985648 157.5
[M-H]- 246.989154 142.0
[M+NH4]+ 266.030253 161.0
[M+K]+ 286.959588 150.8
[M+H-H2O]+ 230.993690 136.1
[M+HCOO]- 292.994631 155.8
[M+CH3COO]- 307.010281 188.0
[M+Na-2H]- 268.971096 151.9
[M]+ 247.99588142 142.5
[M]- 247.99697858 142.5
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.