CID 1340404

2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C21H12F2N2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)F)F
InChI
InChI=1S/C21H12F2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
InChIKey
NIXKHMFOWNKKTK-UHFFFAOYSA-N
Compound name
2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

362.08667 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.093946 185.1
[M+Na]+ 385.075888 195.2
[M-H]- 361.079394 189.8
[M+NH4]+ 380.120493 194.7
[M+K]+ 401.049828 187.2
[M+H-H2O]+ 345.083930 172.2
[M+HCOO]- 407.084871 200.9
[M+CH3COO]- 421.100521 194.4
[M+Na-2H]- 383.061336 188.3
[M]+ 362.08612142 183.0
[M]- 362.08721858 183.0
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