CID 22341073

2,6,7-trichloro-3-(trifluoromethyl)quinoxaline

Structural Information

Molecular Formula
C9H2Cl3F3N2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(C(=N2)C(F)(F)F)Cl
InChI
InChI=1S/C9H2Cl3F3N2/c10-3-1-5-6(2-4(3)11)17-8(12)7(16-5)9(13,14)15/h1-2H
InChIKey
WQRJHSXHDSMZPH-UHFFFAOYSA-N
Compound name
2,6,7-trichloro-3-(trifluoromethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.92355 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.930826 151.0
[M+Na]+ 322.912768 164.7
[M-H]- 298.916274 147.9
[M+NH4]+ 317.957373 166.5
[M+K]+ 338.886708 157.3
[M+H-H2O]+ 282.920810 143.0
[M+HCOO]- 344.921751 152.7
[M+CH3COO]- 358.937401 200.0
[M+Na-2H]- 320.898216 156.1
[M]+ 299.92300142 151.5
[M]- 299.92409858 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe