CID 27281957

8-chloro-3-nitroquinolin-4-ol

Structural Information

Molecular Formula
C9H5ClN2O3
SMILES
C1=CC2=C(C(=C1)Cl)NC=C(C2=O)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O3/c10-6-3-1-2-5-8(6)11-4-7(9(5)13)12(14)15/h1-4H,(H,11,13)
InChIKey
NMYGFEPIIPRFLB-UHFFFAOYSA-N
Compound name
8-chloro-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.99887 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00615 140.0
[M+Na]+ 246.98809 150.2
[M-H]- 222.99159 142.5
[M+NH4]+ 242.03269 157.6
[M+K]+ 262.96203 141.3
[M+H-H2O]+ 206.99613 139.3
[M+HCOO]- 268.99707 158.5
[M+CH3COO]- 283.01272 178.5
[M+Na-2H]- 244.97354 149.6
[M]+ 223.99832 140.2
[M]- 223.99942 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.