CID 96508

35973-24-1

Structural Information

Molecular Formula
C10H6N2O5
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H6N2O5/c13-9-6-3-5(12(16)17)1-2-8(6)11-4-7(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKey
HVEINHUJRQCZNZ-UHFFFAOYSA-N
Compound name
6-nitro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

234.02766 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.034936 142.2
[M+Na]+ 257.016878 150.7
[M-H]- 233.020384 143.7
[M+NH4]+ 252.061483 157.4
[M+K]+ 272.990818 143.2
[M+H-H2O]+ 217.024920 140.4
[M+HCOO]- 279.025861 163.0
[M+CH3COO]- 293.041511 179.2
[M+Na-2H]- 255.002326 150.7
[M]+ 234.02711142 140.2
[M]- 234.02820858 140.2
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