CID 21984461

5-bromo-3-nitroquinolin-4-ol

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC2=C(C(=C1)Br)C(=O)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O3/c10-5-2-1-3-6-8(5)9(13)7(4-11-6)12(14)15/h1-4H,(H,11,13)
InChIKey
NWRGJCHLYXOMGU-UHFFFAOYSA-N
Compound name
5-bromo-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

267.94836 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95564 145.1
[M+Na]+ 290.93758 157.4
[M-H]- 266.94108 150.5
[M+NH4]+ 285.98218 163.8
[M+K]+ 306.91152 141.7
[M+H-H2O]+ 250.94562 148.8
[M+HCOO]- 312.94656 165.7
[M+CH3COO]- 326.96221 185.0
[M+Na-2H]- 288.92303 155.8
[M]+ 267.94781 162.5
[M]- 267.94891 162.5
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

patents stripe