CID 127872

153504-72-4

Structural Information

Molecular Formula
C9H4ClF3N2O2
SMILES
C1=C(C=C(C2=C1NC(=O)C(=O)N2)Cl)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2O2/c10-4-1-3(9(11,12)13)2-5-6(4)15-8(17)7(16)14-5/h1-2H,(H,14,16)(H,15,17)
InChIKey
JDCKMCIQUXTYQI-UHFFFAOYSA-N
Compound name
5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

40
Patents

263.99133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.998606 147.3
[M+Na]+ 286.980548 160.8
[M-H]- 262.984054 143.8
[M+NH4]+ 282.025153 162.6
[M+K]+ 302.954488 153.3
[M+H-H2O]+ 246.988590 139.3
[M+HCOO]- 308.989531 157.4
[M+CH3COO]- 323.005181 188.1
[M+Na-2H]- 284.965996 153.5
[M]+ 263.99078142 144.5
[M]- 263.99187858 144.5
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

patents stripe