CID 15365257

Ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C12H9F3N2O2
SMILES
CCOC(=O)C1=NC2=CC=CC=C2N=C1C(F)(F)F
InChI
InChI=1S/C12H9F3N2O2/c1-2-19-11(18)9-10(12(13,14)15)17-8-6-4-3-5-7(8)16-9/h3-6H,2H2,1H3
InChIKey
HBIZLJRVCDTEIZ-UHFFFAOYSA-N
Compound name
ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.0616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06888 156.6
[M+Na]+ 293.05082 166.7
[M-H]- 269.05432 154.9
[M+NH4]+ 288.09542 171.5
[M+K]+ 309.02476 162.9
[M+H-H2O]+ 253.05886 146.4
[M+HCOO]- 315.05980 172.2
[M+CH3COO]- 329.07545 196.7
[M+Na-2H]- 291.03627 162.8
[M]+ 270.06105 155.6
[M]- 270.06215 155.6
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