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]+ 300.93083 151.0
[M+Na]+ 322.91277 164.7
[M-H]- 298.91627 147.9
[M+NH4]+ 317.95737 166.5
[M+K]+ 338.88671 157.3
[M+H-H2O]+ 282.92081 143.0
[M+HCOO]- 344.92175 152.7
[M+CH3COO]- 358.93740 200.0
[M+Na-2H]- 320.89822 156.1
[M]+ 299.92300 151.5
[M]- 299.92410 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