CID 3003607

Chembl368873

Structural Information

Molecular Formula
C11H8F2N2O4
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)OC
InChI
InChI=1S/C11H8F2N2O4/c1-5-10(11(16)19-2)15(18)9-4-7(13)6(12)3-8(9)14(5)17/h3-4H,1-2H3
InChIKey
SAMLHICTVFTRLQ-UHFFFAOYSA-N
Compound name
methyl 6,7-difluoro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.04523 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05251 152.2
[M+Na]+ 293.03445 164.8
[M-H]- 269.03795 151.9
[M+NH4]+ 288.07905 166.9
[M+K]+ 309.00839 156.4
[M+H-H2O]+ 253.04249 148.2
[M+HCOO]- 315.04343 170.3
[M+CH3COO]- 329.05908 189.3
[M+Na-2H]- 291.01990 158.0
[M]+ 270.04468 152.4
[M]- 270.04578 152.4
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.