CID 286364

Nsc144448

Structural Information

Molecular Formula
C11H5N3O5
SMILES
C1=CC(=C2C(=CC=C3C2=C1C(=O)N3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H5N3O5/c15-11-5-1-3-7(13(16)17)10-8(14(18)19)4-2-6(12-11)9(5)10/h1-4H,(H,12,15)
InChIKey
SZQBGELBXSALDZ-UHFFFAOYSA-N
Compound name
5,6-dinitro-1H-benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02292 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.030196 151.3
[M+Na]+ 282.012138 158.2
[M-H]- 258.015644 154.1
[M+NH4]+ 277.056743 167.6
[M+K]+ 297.986078 146.7
[M+H-H2O]+ 242.020180 153.8
[M+HCOO]- 304.021121 172.7
[M+CH3COO]- 318.036771 183.5
[M+Na-2H]- 279.997586 161.8
[M]+ 259.02237142 148.5
[M]- 259.02346858 148.5
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.