CID 66545091

3-(trifluoromethyl)quinoxaline-2-carboxylic acid

Structural Information

Molecular Formula
C10H5F3N2O2
SMILES
C1=CC=C2C(=C1)N=C(C(=N2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H5F3N2O2/c11-10(12,13)8-7(9(16)17)14-5-3-1-2-4-6(5)15-8/h1-4H,(H,16,17)
InChIKey
CALWBEPGJZCNIE-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)quinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.03032 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037596 147.3
[M+Na]+ 265.019538 157.7
[M-H]- 241.023044 144.5
[M+NH4]+ 260.064143 162.5
[M+K]+ 280.993478 153.5
[M+H-H2O]+ 225.027580 137.7
[M+HCOO]- 287.028521 162.0
[M+CH3COO]- 301.044171 188.9
[M+Na-2H]- 263.004986 154.1
[M]+ 242.02977142 143.8
[M]- 242.03086858 143.8
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