CID 736421

2-chloro-3-(trifluoromethyl)quinoxaline

Structural Information

Molecular Formula
C9H4ClF3N2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2/c10-8-7(9(11,12)13)14-5-3-1-2-4-6(5)15-8/h1-4H
InChIKey
DSMMAQWRRJQVTQ-UHFFFAOYSA-N
Compound name
2-chloro-3-(trifluoromethyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

232.00151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00879 141.8
[M+Na]+ 254.99073 154.0
[M-H]- 230.99423 140.1
[M+NH4]+ 250.03533 159.3
[M+K]+ 270.96467 148.1
[M+H-H2O]+ 214.99877 132.6
[M+HCOO]- 276.99971 154.1
[M+CH3COO]- 291.01536 188.1
[M+Na-2H]- 252.97618 150.2
[M]+ 232.00096 140.3
[M]- 232.00206 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