CID 129964053

3-bromo-6-nitroquinolin-4-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.94836 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.955636 145.1
[M+Na]+ 290.937578 157.4
[M-H]- 266.941084 150.5
[M+NH4]+ 285.982183 163.8
[M+K]+ 306.911518 141.7
[M+H-H2O]+ 250.945620 148.8
[M+HCOO]- 312.946561 165.7
[M+CH3COO]- 326.962211 185.0
[M+Na-2H]- 288.923026 155.8
[M]+ 267.94781142 162.5
[M]- 267.94890858 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