CID 403948

Nsc719714

Structural Information

Molecular Formula
C11H8Cl2N2O3
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C
InChI
InChI=1S/C11H8Cl2N2O3/c1-5-11(6(2)16)15(18)10-4-8(13)7(12)3-9(10)14(5)17/h3-4H,1-2H3
InChIKey
UYEJSNFETDFBSI-UHFFFAOYSA-N
Compound name
1-(6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

285.9912 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.99848 155.3
[M+Na]+ 308.98042 167.9
[M-H]- 284.98392 156.1
[M+NH4]+ 304.02502 170.4
[M+K]+ 324.95436 158.0
[M+H-H2O]+ 268.98846 154.7
[M+HCOO]- 330.98940 165.4
[M+CH3COO]- 345.00505 190.8
[M+Na-2H]- 306.96587 160.6
[M]+ 285.99065 159.2
[M]- 285.99175 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.