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]+ 260.03020 151.3
[M+Na]+ 282.01214 158.2
[M-H]- 258.01564 154.1
[M+NH4]+ 277.05674 167.6
[M+K]+ 297.98608 146.7
[M+H-H2O]+ 242.02018 153.8
[M+HCOO]- 304.02112 172.7
[M+CH3COO]- 318.03677 183.5
[M+Na-2H]- 279.99759 161.8
[M]+ 259.02237 148.5
[M]- 259.02347 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.