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

63
Patents

215.0331 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04038 149.0
[M+Na]+ 238.02232 159.9
[M-H]- 214.02582 150.6
[M+NH4]+ 233.06692 163.9
[M+K]+ 253.99626 151.1
[M+H-H2O]+ 198.03036 139.9
[M+HCOO]- 260.03130 167.7
[M+CH3COO]- 274.04695 191.4
[M+Na-2H]- 236.00777 156.8
[M]+ 215.03255 142.0
[M]- 215.03365 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