CID 15618455

6-nitro-4-cinnolinol

Structural Information

Molecular Formula
C8H5N3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=NN2
InChI
InChI=1S/C8H5N3O3/c12-8-4-9-10-7-2-1-5(11(13)14)3-6(7)8/h1-4H,(H,10,12)
InChIKey
KHKIQKVEMYQXLZ-UHFFFAOYSA-N
Compound name
6-nitro-1H-cinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.0331 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04038 133.0
[M+Na]+ 214.02232 142.4
[M-H]- 190.02582 134.4
[M+NH4]+ 209.06692 149.5
[M+K]+ 229.99626 134.9
[M+H-H2O]+ 174.03036 130.5
[M+HCOO]- 236.03130 155.2
[M+CH3COO]- 250.04695 173.2
[M+Na-2H]- 212.00777 144.8
[M]+ 191.03255 130.8
[M]- 191.03365 130.8
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