CID 5055731

Methyl 2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylate

Structural Information

Molecular Formula
C22H14F2N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H14F2N2O2/c1-28-22(27)15-6-11-18-19(12-15)26-21(14-4-9-17(24)10-5-14)20(25-18)13-2-7-16(23)8-3-13/h2-12H,1H3
InChIKey
HGCJINRLCSLVHH-UHFFFAOYSA-N
Compound name
methyl 2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

376.10233 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10961 190.3
[M+Na]+ 399.09155 200.3
[M-H]- 375.09505 196.0
[M+NH4]+ 394.13615 200.0
[M+K]+ 415.06549 192.9
[M+H-H2O]+ 359.09959 176.6
[M+HCOO]- 421.10053 207.1
[M+CH3COO]- 435.11618 199.7
[M+Na-2H]- 397.07700 193.1
[M]+ 376.10178 190.0
[M]- 376.10288 190.0
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