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]+ 225.006146 140.0
[M+Na]+ 246.988088 150.2
[M-H]- 222.991594 142.5
[M+NH4]+ 242.032693 157.6
[M+K]+ 262.962028 141.3
[M+H-H2O]+ 206.996130 139.3
[M+HCOO]- 268.997071 158.5
[M+CH3COO]- 283.012721 178.5
[M+Na-2H]- 244.973536 149.6
[M]+ 223.99832142 140.2
[M]- 223.99941858 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.