CID 389434

Nsc685516

Structural Information

Molecular Formula
C13H12F2N2O3
SMILES
CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)F
InChI
InChI=1S/C13H12F2N2O3/c1-3-20-13(19)6(2)11-12(18)17-10-5-8(15)7(14)4-9(10)16-11/h4-6H,3H2,1-2H3,(H,17,18)
InChIKey
AIYMPJGRVCKHGX-UHFFFAOYSA-N
Compound name
ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0816 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08888 159.3
[M+Na]+ 305.07082 169.7
[M-H]- 281.07432 157.9
[M+NH4]+ 300.11542 173.3
[M+K]+ 321.04476 165.3
[M+H-H2O]+ 265.07886 150.0
[M+HCOO]- 327.07980 175.0
[M+CH3COO]- 341.09545 199.5
[M+Na-2H]- 303.05627 161.8
[M]+ 282.08105 159.5
[M]- 282.08215 159.5
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.