CID 4054780

2-chloro-7-nitroquinoxaline

Structural Information

Molecular Formula
C8H4ClN3O2
SMILES
C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C8H4ClN3O2/c9-8-4-10-6-2-1-5(12(13)14)3-7(6)11-8/h1-4H
InChIKey
DCWHGXURAAYUEC-UHFFFAOYSA-N
Compound name
2-chloro-7-nitroquinoxaline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

75
Patents

208.9992 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.00648 137.2
[M+Na]+ 231.98842 147.1
[M-H]- 207.99192 139.3
[M+NH4]+ 227.03302 154.4
[M+K]+ 247.96236 139.2
[M+H-H2O]+ 191.99646 135.0
[M+HCOO]- 253.99740 155.7
[M+CH3COO]- 268.01305 178.7
[M+Na-2H]- 229.97387 148.5
[M]+ 208.99865 138.0
[M]- 208.99975 138.0
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

patents stripe