CID 3547342

2-chloro-6-(trifluoromethyl)quinoxaline

Structural Information

Molecular Formula
C9H4ClF3N2
SMILES
C1=CC2=NC(=CN=C2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C9H4ClF3N2/c10-8-4-14-7-3-5(9(11,12)13)1-2-6(7)15-8/h1-4H
InChIKey
PKOWPBJJCLWQMY-UHFFFAOYSA-N
Compound name
2-chloro-6-(trifluoromethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

232.00151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.008786 141.8
[M+Na]+ 254.990728 154.0
[M-H]- 230.994234 140.1
[M+NH4]+ 250.035333 159.3
[M+K]+ 270.964668 148.1
[M+H-H2O]+ 214.998770 132.6
[M+HCOO]- 276.999711 154.1
[M+CH3COO]- 291.015361 188.1
[M+Na-2H]- 252.976176 150.2
[M]+ 232.00096142 140.3
[M]- 232.00205858 140.3
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