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]+ 249.00371 144.6
[M+Na]+ 270.98565 157.5
[M-H]- 246.98915 142.0
[M+NH4]+ 266.03025 161.0
[M+K]+ 286.95959 150.8
[M+H-H2O]+ 230.99369 136.1
[M+HCOO]- 292.99463 155.8
[M+CH3COO]- 307.01028 188.0
[M+Na-2H]- 268.97110 151.9
[M]+ 247.99588 142.5
[M]- 247.99698 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.