CID 404284

Nsc720465

Structural Information

Molecular Formula
C16H10Cl2N2O3
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H10Cl2N2O3/c1-9-15(16(21)10-5-3-2-4-6-10)20(23)14-8-12(18)11(17)7-13(14)19(9)22/h2-8H,1H3
InChIKey
CGXSVXICYBGCHV-UHFFFAOYSA-N
Compound name
(6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.00684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01412 174.7
[M+Na]+ 370.99606 186.0
[M-H]- 346.99956 178.1
[M+NH4]+ 366.04066 186.6
[M+K]+ 386.97000 174.6
[M+H-H2O]+ 331.00410 171.4
[M+HCOO]- 393.00504 184.1
[M+CH3COO]- 407.02069 201.6
[M+Na-2H]- 368.98151 179.4
[M]+ 348.00629 178.1
[M]- 348.00739 178.1
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.