CID 5896321

Nsc685518

Structural Information

Molecular Formula
C12H10F2N2O3
SMILES
CCOC(=O)/C=C\1/C(=O)NC2=CC(=C(C=C2N1)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/h3-5,15H,2H2,1H3,(H,16,18)/b10-5-
InChIKey
KWCBMVSAQBYXOG-YHYXMXQVSA-N
Compound name
ethyl (2Z)-2-(6,7-difluoro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06595 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07323 157.0
[M+Na]+ 291.05517 166.0
[M-H]- 267.05867 153.6
[M+NH4]+ 286.09977 170.8
[M+K]+ 307.02911 160.4
[M+H-H2O]+ 251.06321 148.3
[M+HCOO]- 313.06415 169.9
[M+CH3COO]- 327.07980 192.5
[M+Na-2H]- 289.04062 158.8
[M]+ 268.06540 152.0
[M]- 268.06650 152.0
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

No patent data available for this compound.