CID 467586

1,4-dioxido de 3- chloro-7-(4-nitrofenil)-2-quinoxalinacarbonitrilo

Structural Information

Molecular Formula
C15H7ClN4O4
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N(C(=C([N+]3=O)C#N)Cl)[O-])[N+](=O)[O-]
InChI
InChI=1S/C15H7ClN4O4/c16-15-14(8-17)18(21)13-7-10(3-6-12(13)19(15)22)9-1-4-11(5-2-9)20(23)24/h1-7H
InChIKey
LMEGGKBBGGTFLT-UHFFFAOYSA-N
Compound name
3-chloro-7-(4-nitrophenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0156 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.02288 186.6
[M+Na]+ 365.00482 196.9
[M-H]- 341.00832 188.5
[M+NH4]+ 360.04942 194.9
[M+K]+ 380.97876 181.6
[M+H-H2O]+ 325.01286 179.4
[M+HCOO]- 387.01380 198.6
[M+CH3COO]- 401.02945 206.5
[M+Na-2H]- 362.99027 192.7
[M]+ 342.01505 180.7
[M]- 342.01615 180.7
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.