CID 389435

Nsc685517

Structural Information

Molecular Formula
C12H10F2N2O3
SMILES
CCOC(=O)CC1=NC2=CC(=C(C=C2NC1=O)F)F
InChI
InChI=1S/C12H10F2N2O3/c1-2-19-11(17)5-10-12(18)16-9-4-7(14)6(13)3-8(9)15-10/h3-4H,2,5H2,1H3,(H,16,18)
InChIKey
VLQFUYIXRPAFAI-UHFFFAOYSA-N
Compound name
ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07323 155.0
[M+Na]+ 291.05517 166.0
[M-H]- 267.05867 153.6
[M+NH4]+ 286.09977 169.6
[M+K]+ 307.02911 161.4
[M+H-H2O]+ 251.06321 145.7
[M+HCOO]- 313.06415 172.0
[M+CH3COO]- 327.07980 195.6
[M+Na-2H]- 289.04062 159.1
[M]+ 268.06540 155.4
[M]- 268.06650 155.4
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

No patent data available for this compound.