CID 157180

2-nitro-6(5h)-phenanthridinone

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C2C(=C1)C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O
InChI
InChI=1S/C13H8N2O3/c16-13-10-4-2-1-3-9(10)11-7-8(15(17)18)5-6-12(11)14-13/h1-7H,(H,14,16)
InChIKey
KLNFQJDLPUPRJZ-UHFFFAOYSA-N
Compound name
2-nitro-5H-phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

116
Patents

240.0535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.060776 145.7
[M+Na]+ 263.042718 155.7
[M-H]- 239.046224 149.5
[M+NH4]+ 258.087323 162.6
[M+K]+ 279.016658 146.5
[M+H-H2O]+ 223.050760 142.9
[M+HCOO]- 285.051701 168.5
[M+CH3COO]- 299.067351 184.6
[M+Na-2H]- 261.028166 157.9
[M]+ 240.05295142 145.3
[M]- 240.05404858 145.3
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