CID 482641

2-chloro-7-ethoxy-6-fluoro-3-methylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C11H10ClFN2O3
SMILES
CCOC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])C)Cl)F
InChI
InChI=1S/C11H10ClFN2O3/c1-3-18-10-5-9-8(4-7(10)13)14(16)6(2)11(12)15(9)17/h4-5H,3H2,1-2H3
InChIKey
ACOUXJUCXNXRPR-UHFFFAOYSA-N
Compound name
2-chloro-7-ethoxy-6-fluoro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.0364 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04368 154.2
[M+Na]+ 295.02562 167.1
[M-H]- 271.02912 154.6
[M+NH4]+ 290.07022 169.8
[M+K]+ 310.99956 157.5
[M+H-H2O]+ 255.03366 151.7
[M+HCOO]- 317.03460 169.2
[M+CH3COO]- 331.05025 189.1
[M+Na-2H]- 293.01107 160.9
[M]+ 272.03585 157.5
[M]- 272.03695 157.5
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.