CID 15405331

5-nitroquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C10H6N2O4
SMILES
C1=CC2=C(C=CC(=C2N=C1)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O4/c13-10(14)7-3-4-8(12(15)16)6-2-1-5-11-9(6)7/h1-5H,(H,13,14)
InChIKey
HXHZCOASPJWXPP-UHFFFAOYSA-N
Compound name
5-nitroquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

78
Patents

218.03276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04004 140.3
[M+Na]+ 241.02198 148.3
[M-H]- 217.02548 142.7
[M+NH4]+ 236.06658 156.7
[M+K]+ 256.99592 141.6
[M+H-H2O]+ 201.03002 138.1
[M+HCOO]- 263.03096 162.3
[M+CH3COO]- 277.04661 179.3
[M+Na-2H]- 239.00743 149.7
[M]+ 218.03221 139.0
[M]- 218.03331 139.0
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