CID 403947

Nsc719713

Structural Information

Molecular Formula
C11H8Cl2N2O4
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OC
InChI
InChI=1S/C11H8Cl2N2O4/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
PHDMFBDFVVUYQS-UHFFFAOYSA-N
Compound name
methyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.9861 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.99338 158.1
[M+Na]+ 324.97532 170.6
[M-H]- 300.97882 159.1
[M+NH4]+ 320.01992 172.6
[M+K]+ 340.94926 161.3
[M+H-H2O]+ 284.98336 157.4
[M+HCOO]- 346.98430 168.4
[M+CH3COO]- 360.99995 192.2
[M+Na-2H]- 322.96077 163.6
[M]+ 301.98555 163.4
[M]- 301.98665 163.4
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.