CID 27282029

6-chloro-3-nitro-quinolin-4-ol

Structural Information

Molecular Formula
C9H5ClN2O3
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C9H5ClN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
InChIKey
OBLXWQXWGDQTSW-UHFFFAOYSA-N
Compound name
6-chloro-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
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

literature stripe

Patent stripe

patents stripe