CID 21984407

7-bromo-3-nitroquinolin-4-ol

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=CC2=C(C=C1Br)NC=C(C2=O)[N+](=O)[O-]
InChI
InChI=1S/C9H5BrN2O3/c10-5-1-2-6-7(3-5)11-4-8(9(6)13)12(14)15/h1-4H,(H,11,13)
InChIKey
QJMLADCOCGDUQT-UHFFFAOYSA-N
Compound name
7-bromo-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
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

literature stripe

Patent stripe

patents stripe