CID 2801447

5-bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione

Structural Information

Molecular Formula
C9H4BrF3N2O2
SMILES
C1=C(C=C(C2=C1NC(=O)C(=O)N2)Br)C(F)(F)F
InChI
InChI=1S/C9H4BrF3N2O2/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
XRZJFNLLFBTUGL-UHFFFAOYSA-N
Compound name
5-bromo-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

16
Patents

307.94083 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.94811 155.6
[M+Na]+ 330.93005 170.7
[M-H]- 306.93355 155.1
[M+NH4]+ 325.97465 172.0
[M+K]+ 346.90399 156.4
[M+H-H2O]+ 290.93809 153.2
[M+HCOO]- 352.93903 168.2
[M+CH3COO]- 366.95468 194.1
[M+Na-2H]- 328.91550 162.6
[M]+ 307.94028 169.4
[M]- 307.94138 169.4
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