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

9
Patents

242.03032 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03760 147.3
[M+Na]+ 265.01954 157.7
[M-H]- 241.02304 144.5
[M+NH4]+ 260.06414 162.5
[M+K]+ 280.99348 153.5
[M+H-H2O]+ 225.02758 137.7
[M+HCOO]- 287.02852 162.0
[M+CH3COO]- 301.04417 188.9
[M+Na-2H]- 263.00499 154.1
[M]+ 242.02977 143.8
[M]- 242.03087 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