CID 11053042

6-nitro-4-oxo-1,4-dihydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H5N3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CN2)C#N
InChI
InChI=1S/C10H5N3O3/c11-4-6-5-12-9-2-1-7(13(15)16)3-8(9)10(6)14/h1-3,5H,(H,12,14)
InChIKey
PZIXIFBGEDRCAM-UHFFFAOYSA-N
Compound name
6-nitro-4-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

215.0331 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.040376 149.0
[M+Na]+ 238.022318 159.9
[M-H]- 214.025824 150.6
[M+NH4]+ 233.066923 163.9
[M+K]+ 253.996258 151.1
[M+H-H2O]+ 198.030360 139.9
[M+HCOO]- 260.031301 167.7
[M+CH3COO]- 274.046951 191.4
[M+Na-2H]- 236.007766 156.8
[M]+ 215.03255142 142.0
[M]- 215.03364858 142.0
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

patents stripe